smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 ZINC000013991670 1022011713 /nfs/dbraw/zinc/01/17/13/1022011713.db2.gz IXOMUNIHWCAFFA-ZDUSSCGKSA-N 0 1 323.433 3.587 40 0 DHABMN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000072414168 191156140 /nfs/dbraw/zinc/15/61/40/191156140.db2.gz HTUUUUHCFLJVRF-UHFFFAOYSA-N 0 1 319.426 3.928 40 0 DHABMN CCC/C=C(\CC)[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000005417250 181240679 /nfs/dbraw/zinc/24/06/79/181240679.db2.gz DMZJJDDAKLEIIG-MVIRQZGPSA-N 0 1 312.413 3.944 40 0 DHABMN CCOC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=S ZINC000040164058 183042396 /nfs/dbraw/zinc/04/23/96/183042396.db2.gz IEUCXQQSGVRQBU-UHFFFAOYSA-N 0 1 301.289 3.719 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC ZINC000072214790 257125878 /nfs/dbraw/zinc/12/58/78/257125878.db2.gz LKDPMAMQXKACMM-HNNXBMFYSA-N 0 1 319.449 4.000 40 0 DHABMN CCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214515 257125909 /nfs/dbraw/zinc/12/59/09/257125909.db2.gz ZDVKJQRKFCQYSR-HNNXBMFYSA-N 0 1 319.449 4.000 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C ZINC000072214783 257126085 /nfs/dbraw/zinc/12/60/85/257126085.db2.gz LSHVDJPNNJFOJH-AWEZNQCLSA-N 0 1 305.422 3.610 40 0 DHABMN CCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214395 257126707 /nfs/dbraw/zinc/12/67/07/257126707.db2.gz HAUNIPIPAFSPKJ-AWEZNQCLSA-N 0 1 305.422 3.976 40 0 DHABMN Oc1ccc(-c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000064874549 257128560 /nfs/dbraw/zinc/12/85/60/257128560.db2.gz FIEICMVHJJUDMA-UHFFFAOYSA-N 0 1 305.259 3.863 40 0 DHABMN Oc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000064874549 257128561 /nfs/dbraw/zinc/12/85/61/257128561.db2.gz FIEICMVHJJUDMA-UHFFFAOYSA-N 0 1 305.259 3.863 40 0 DHABMN c1ccc2c(c1)N[C@@H](c1cccc3cccnc31)N1CCCN=C21 ZINC000012144189 563363292 /nfs/dbraw/zinc/36/32/92/563363292.db2.gz BVEKBIFVUXRGMC-HXUWFJFHSA-N 0 1 314.392 3.811 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccccc3C)n2)cc1OC ZINC000085384410 563569113 /nfs/dbraw/zinc/56/91/13/563569113.db2.gz MWMAPPPHQPQEHV-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN CCOc1ccc(-c2nnc(-c3ccccc3C)[nH]2)cc1OC ZINC000085384410 563569114 /nfs/dbraw/zinc/56/91/14/563569114.db2.gz MWMAPPPHQPQEHV-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN Cc1ccc2nc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)[nH]c2c1 ZINC000013996229 563663787 /nfs/dbraw/zinc/66/37/87/563663787.db2.gz SHGGCHLZZZGISD-KRWDZBQOSA-N 0 1 322.412 3.526 40 0 DHABMN CC1(c2ncc(Cl)s2)CCN(Cc2ccccn2)CC1 ZINC000257200676 563790069 /nfs/dbraw/zinc/79/00/69/563790069.db2.gz AELKNKJMUXXTQG-UHFFFAOYSA-N 0 1 307.850 3.745 40 0 DHABMN Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(CCC(=O)[O-])n1 ZINC000257242352 563791366 /nfs/dbraw/zinc/79/13/66/563791366.db2.gz ICBLUNVWNLNJIN-IBGZPJMESA-N 0 1 324.424 3.744 40 0 DHABMN COC(=O)c1cc2[nH]c(-c3ccccc3F)nc2c(Cl)c1 ZINC000216921618 563858608 /nfs/dbraw/zinc/85/86/08/563858608.db2.gz HPXSAIMUGFXXTI-UHFFFAOYSA-N 0 1 304.708 3.809 40 0 DHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCc3ccccc3)n2)cc1 ZINC000007605047 563922083 /nfs/dbraw/zinc/92/20/83/563922083.db2.gz XCQRULJXRDYCMI-UHFFFAOYSA-N 0 1 324.409 3.722 40 0 DHABMN Cc1cc(-c2noc([C@@H]3CCCCN3)n2)cc(C)c1OC(C)C ZINC000095095401 563930869 /nfs/dbraw/zinc/93/08/69/563930869.db2.gz OUQOQKHALJADRV-HNNXBMFYSA-N 0 1 315.417 3.955 40 0 DHABMN CC(C)(C)Nc1nc(NCCc2ccccc2)cc(C2CC2)n1 ZINC000329066629 563959734 /nfs/dbraw/zinc/95/97/34/563959734.db2.gz YCROJBFHDFERDT-UHFFFAOYSA-N 0 1 310.445 4.219 40 0 DHABMN CC[C@@H](C)Nc1nc(C(C)C)cc(N2CCc3ccccc3C2)n1 ZINC000329016485 563960306 /nfs/dbraw/zinc/96/03/06/563960306.db2.gz NHIGIAVEYZHRKK-OAHLLOKOSA-N 0 1 324.472 4.373 40 0 DHABMN CC[C@@H](C)Nc1nc(C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329001500 563960391 /nfs/dbraw/zinc/96/03/91/563960391.db2.gz KEXMFAHBJDOSOW-CQSZACIVSA-N 0 1 324.472 4.337 40 0 DHABMN CC(C)(C)OC(=O)n1cc(O)c2cccc(Br)c21 ZINC000080443793 192157281 /nfs/dbraw/zinc/15/72/81/192157281.db2.gz NVGOTYUVLHTFSJ-UHFFFAOYSA-N 0 1 312.163 3.893 40 0 DHABMN C[C@@H]1CN(Cc2c3cccnc3[nH]c2C2CCCC2)C[C@@H](C)O1 ZINC000072393348 191149425 /nfs/dbraw/zinc/14/94/25/191149425.db2.gz LCESVPMCNCNJJM-ZIAGYGMSSA-N 0 1 313.445 3.830 40 0 DHABMN C[C@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000003564623 181035181 /nfs/dbraw/zinc/03/51/81/181035181.db2.gz FXLKDKLLSAGXGV-KRWDZBQOSA-N 0 1 322.452 3.624 40 0 DHABMN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000195464835 201392507 /nfs/dbraw/zinc/39/25/07/201392507.db2.gz OFOBTUQSDUZIBP-CQSZACIVSA-N 0 1 322.880 3.713 40 0 DHABMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000016082884 182032078 /nfs/dbraw/zinc/03/20/78/182032078.db2.gz USODXQCOJVBWAY-SJORKVTESA-N 0 1 315.800 3.640 40 0 DHABMN CC(C)(C)[N@@H+](CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1 ZINC000038647308 257129823 /nfs/dbraw/zinc/12/98/23/257129823.db2.gz KJZOTGCJVSCWKL-UHFFFAOYSA-N 0 1 313.397 3.581 40 0 DHABMN CC(C)(C)N(CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1 ZINC000038647308 257129824 /nfs/dbraw/zinc/12/98/24/257129824.db2.gz KJZOTGCJVSCWKL-UHFFFAOYSA-N 0 1 313.397 3.581 40 0 DHABMN Cc1ccc([C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000514250860 257215309 /nfs/dbraw/zinc/21/53/09/257215309.db2.gz QEIKBFNVOBKPEO-FQEVSTJZSA-N 0 1 309.409 3.613 40 0 DHABMN CCN1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2 ZINC000225818357 563764112 /nfs/dbraw/zinc/76/41/12/563764112.db2.gz FPJLEKTUXPDYCW-UHFFFAOYSA-N 0 1 301.430 3.804 40 0 DHABMN CN1CCC(=C2c3ccsc3C[C@@H](O)c3ccccc32)CC1 ZINC000002027983 563298559 /nfs/dbraw/zinc/29/85/59/563298559.db2.gz ZSHTUWQHLKCHLO-QGZVFWFLSA-N 0 1 311.450 3.865 40 0 DHABMN CCCc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)s1 ZINC000012147145 563363300 /nfs/dbraw/zinc/36/33/00/563363300.db2.gz UHBVZCDZFJYMCP-UHFFFAOYSA-N 0 1 303.475 3.935 40 0 DHABMN Cc1ccc(C2(NCc3ccnn3[C@H]3CCCCO3)CC2)cc1 ZINC000012238735 563365404 /nfs/dbraw/zinc/36/54/04/563365404.db2.gz VKYZIBSAOHSTBU-GOSISDBHSA-N 0 1 311.429 3.670 40 0 DHABMN Cc1cccc(Cn2c3ccccc3nc2CN2CCCC2)c1 ZINC000027789158 563430237 /nfs/dbraw/zinc/43/02/37/563430237.db2.gz PZDWONXNIYYYTG-UHFFFAOYSA-N 0 1 305.425 3.989 40 0 DHABMN CC[C@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524936 563486068 /nfs/dbraw/zinc/48/60/68/563486068.db2.gz JNBSFQJXABHEKT-QZTJIDSGSA-N 0 1 317.454 3.567 40 0 DHABMN c1cc(COC2CCCCC2)ccc1CCCN1CCOCC1 ZINC000068606110 563495861 /nfs/dbraw/zinc/49/58/61/563495861.db2.gz ZTPVQWSITZDCKJ-UHFFFAOYSA-N 0 1 317.473 3.801 40 0 DHABMN Cc1ccc2cc(CNCc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000013999219 563549407 /nfs/dbraw/zinc/54/94/07/563549407.db2.gz LJJDXIPJLBQTQV-UHFFFAOYSA-N 0 1 312.800 3.780 40 0 DHABMN CCOc1cc(-c2n[nH]c(-c3ccccc3Cl)n2)ccc1O ZINC000085384638 563568994 /nfs/dbraw/zinc/56/89/94/563568994.db2.gz BHDBABAVSXQBLW-UHFFFAOYSA-N 0 1 315.760 3.896 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3cccc(N)c3)n2)cc1OCC ZINC000085385282 563569317 /nfs/dbraw/zinc/56/93/17/563569317.db2.gz SYTIORNGANUGJT-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN CCOc1ccc(-c2nc(-c3cccc(N)c3)n[nH]2)cc1OCC ZINC000085385282 563569319 /nfs/dbraw/zinc/56/93/19/563569319.db2.gz SYTIORNGANUGJT-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN CCCOc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C ZINC000095095400 563653727 /nfs/dbraw/zinc/65/37/27/563653727.db2.gz KLGGHIGXDYLJET-OAHLLOKOSA-N 0 1 315.417 3.957 40 0 DHABMN CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000014257546 563666243 /nfs/dbraw/zinc/66/62/43/563666243.db2.gz HGROAUGYGZIAAQ-UHFFFAOYSA-N 0 1 321.229 3.558 40 0 DHABMN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000225219808 563750180 /nfs/dbraw/zinc/75/01/80/563750180.db2.gz KQHVQLQFCSWEST-CQSZACIVSA-N 0 1 322.880 3.713 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cccc2ncccc21 ZINC000257233266 563791907 /nfs/dbraw/zinc/79/19/07/563791907.db2.gz GONSKRQBGPGCDU-KRWDZBQOSA-N 0 1 320.396 3.634 40 0 DHABMN Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000257256492 563792480 /nfs/dbraw/zinc/79/24/80/563792480.db2.gz KLRZXNHLSCZDAQ-MRXNPFEDSA-N 0 1 306.413 3.646 40 0 DHABMN Cc1ccc(F)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000067801033 563868651 /nfs/dbraw/zinc/86/86/51/563868651.db2.gz LVAVXSQSGLIHAK-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN CCNc1nc(C(C)C)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329032287 563959875 /nfs/dbraw/zinc/95/98/75/563959875.db2.gz QOPYBUZODOJSDA-UHFFFAOYSA-N 0 1 324.472 4.330 40 0 DHABMN Cc1cn[nH]c1C1(C)CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000072388932 191147338 /nfs/dbraw/zinc/14/73/38/191147338.db2.gz VDIRWEZZAZMABK-UHFFFAOYSA-N 0 1 317.820 3.565 40 0 DHABMN c1ccc(Oc2cncc(N3CC[C@@]4(C[C@H]5CC[N@H+]4C5)C3)c2)cc1 ZINC000003937371 181058068 /nfs/dbraw/zinc/05/80/68/181058068.db2.gz ZJUHPOJXMRRNNF-OXQOHEQNSA-N 0 1 321.424 3.548 40 0 DHABMN C[C@@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004968578 181181211 /nfs/dbraw/zinc/18/12/11/181181211.db2.gz HUAVVMNRDYDBOF-QGZVFWFLSA-N 0 1 322.452 3.767 40 0 DHABMN CN(C)c1ccc(SC(=S)NCc2ccccc2)cc1 ZINC000005549651 181256283 /nfs/dbraw/zinc/25/62/83/181256283.db2.gz KFBGWQWBGZVEKE-UHFFFAOYSA-N 0 1 302.468 3.919 40 0 DHABMN CC1=NC[C@H](C)Nc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000006199923 181318364 /nfs/dbraw/zinc/31/83/64/181318364.db2.gz FWLQUSMXSOWPNL-ZDUSSCGKSA-N 0 1 317.392 3.614 40 0 DHABMN CC(C)(C)c1n[nH]c(CCNc2ccc(Br)cc2)n1 ZINC000062719173 184250527 /nfs/dbraw/zinc/25/05/27/184250527.db2.gz ZIWSNDDLXIDYMM-UHFFFAOYSA-N 0 1 323.238 3.519 40 0 DHABMN CC(C)(C)c1nc(CCNc2ccc(Br)cc2)n[nH]1 ZINC000062719173 184250528 /nfs/dbraw/zinc/25/05/28/184250528.db2.gz ZIWSNDDLXIDYMM-UHFFFAOYSA-N 0 1 323.238 3.519 40 0 DHABMN COc1ccc(-c2n[nH]c(-c3cccc(Cl)c3)n2)cc1OC ZINC000062718891 184250860 /nfs/dbraw/zinc/25/08/60/184250860.db2.gz WLBUSGUTMVYJDX-UHFFFAOYSA-N 0 1 315.760 3.809 40 0 DHABMN COc1ccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)cc1OC ZINC000062718891 184250862 /nfs/dbraw/zinc/25/08/62/184250862.db2.gz WLBUSGUTMVYJDX-UHFFFAOYSA-N 0 1 315.760 3.809 40 0 DHABMN CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000001999261 563297389 /nfs/dbraw/zinc/29/73/89/563297389.db2.gz PKYKNPLSFOKASK-UHFFFAOYSA-N 0 1 308.381 3.676 40 0 in-man DHABMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1 ZINC000009484414 563353752 /nfs/dbraw/zinc/35/37/52/563353752.db2.gz WVSWPMGNLXUUBG-UHFFFAOYSA-N 0 1 317.801 3.947 40 0 DHABMN COc1ccc(-n2[nH]c(C)c(CCc3ccccc3)c2=O)cc1 ZINC000009938061 563354859 /nfs/dbraw/zinc/35/48/59/563354859.db2.gz HKFLZBDKDQMGIU-UHFFFAOYSA-N 0 1 308.381 3.680 40 0 DHABMN Cc1ccc2[nH]c(=O)c(CNCc3ccccc3Cl)cc2c1 ZINC000013998958 563549557 /nfs/dbraw/zinc/54/95/57/563549557.db2.gz JQLHUWMEGGXTNS-UHFFFAOYSA-N 0 1 312.800 3.780 40 0 DHABMN CCCCc1nc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c[nH]1 ZINC000257228771 563790604 /nfs/dbraw/zinc/79/06/04/563790604.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 0 1 304.463 3.588 40 0 DHABMN CC(C)[N@H+]1CC[C@H](Cc2cccnc2-c2ccccc2C(=O)[O-])C1 ZINC000257223600 563791056 /nfs/dbraw/zinc/79/10/56/563791056.db2.gz DYBDORGRYDZLBM-OAHLLOKOSA-N 0 1 324.424 3.720 40 0 DHABMN Cc1cn(C)c([C@@H]2CCN(Cc3ccc(Cl)cc3F)C2)n1 ZINC000257232653 563791514 /nfs/dbraw/zinc/79/15/14/563791514.db2.gz GLVWGNHKYJGHKU-CYBMUJFWSA-N 0 1 307.800 3.511 40 0 DHABMN CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2C(C)C)n1 ZINC000257234125 563791621 /nfs/dbraw/zinc/79/16/21/563791621.db2.gz GSGDCINYNIDUHB-KRWDZBQOSA-N 0 1 313.449 3.604 40 0 DHABMN Cc1nccc([C@H]2CCC[N@H+]2Cc2ccccc2N2CCCC2)n1 ZINC000257258714 563792879 /nfs/dbraw/zinc/79/28/79/563792879.db2.gz KVEZHKZGIDCTKL-HXUWFJFHSA-N 0 1 322.456 3.722 40 0 DHABMN Cc1nccc([C@H]2CCCN2Cc2ccccc2N2CCCC2)n1 ZINC000257258714 563792881 /nfs/dbraw/zinc/79/28/81/563792881.db2.gz KVEZHKZGIDCTKL-HXUWFJFHSA-N 0 1 322.456 3.722 40 0 DHABMN c1ccc(CNc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1 ZINC000328968404 563832564 /nfs/dbraw/zinc/83/25/64/563832564.db2.gz CYKRKKSSKHWOPL-UHFFFAOYSA-N 0 1 322.456 3.555 40 0 DHABMN COC(=O)c1cccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)c1 ZINC000216920101 563858464 /nfs/dbraw/zinc/85/84/64/563858464.db2.gz PLYCEXBRLSZCJS-UHFFFAOYSA-N 0 1 316.744 3.679 40 0 DHABMN Cc1cc(F)cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000067801082 563868722 /nfs/dbraw/zinc/86/87/22/563868722.db2.gz FRZKMQIHKDWXKA-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@@H](C)CC)n1 ZINC000328998058 563960394 /nfs/dbraw/zinc/96/03/94/563960394.db2.gz JRWBASWHQCPSEN-GJZGRUSLSA-N 0 1 324.472 4.201 40 0 DHABMN COc1ccc(F)c(CN(Cc2sccc2C)C[C@@H](C)O)c1 ZINC000013991667 1022010988 /nfs/dbraw/zinc/01/09/88/1022010988.db2.gz IXOMUNIHWCAFFA-CYBMUJFWSA-N 0 1 323.433 3.587 40 0 DHABMN OC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F ZINC000095616869 185382558 /nfs/dbraw/zinc/38/25/58/185382558.db2.gz PRQQUQLCNCIJTF-UHFFFAOYSA-N 0 1 323.030 3.761 40 0 DHABMN Fc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072355429 191129200 /nfs/dbraw/zinc/12/92/00/191129200.db2.gz DHTUKQZEARSKPA-GOSISDBHSA-N 0 1 322.387 3.744 40 0 DHABMN Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072388846 191147458 /nfs/dbraw/zinc/14/74/58/191147458.db2.gz VKIQQDWVHJSDNA-KRWDZBQOSA-N 0 1 317.820 3.565 40 0 DHABMN Cc1cccc2c3c([nH]c21)CCN(C[C@H](O)c1cccs1)C3 ZINC000019236587 182110771 /nfs/dbraw/zinc/11/07/71/182110771.db2.gz OYRKXBJTODMRPL-INIZCTEOSA-N 0 1 312.438 3.630 40 0 DHABMN COc1ccc(NCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000040174471 257130005 /nfs/dbraw/zinc/13/00/05/257130005.db2.gz XMMFJHMUMNNTEN-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN COc1ccc(NCc2nc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000040174471 257130007 /nfs/dbraw/zinc/13/00/07/257130007.db2.gz XMMFJHMUMNNTEN-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN C=C1N=C(SC(C)C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408987128 257224630 /nfs/dbraw/zinc/22/46/30/257224630.db2.gz DOIKNWAYUHSBTR-HNNXBMFYSA-N 0 1 318.442 3.666 40 0 DHABMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168851 560084821 /nfs/dbraw/zinc/08/48/21/560084821.db2.gz BYIMNHQLXPOGQV-HNNXBMFYSA-N 0 1 322.364 3.516 40 0 biogenic,in-vitro DHABMN Clc1ccc2c(c1)nc1c(c2N2CCOCC2)CCCC1 ZINC000001621215 563288021 /nfs/dbraw/zinc/28/80/21/563288021.db2.gz OAYYZVDKQAYGFV-UHFFFAOYSA-N 0 1 302.805 3.604 40 0 DHABMN CN(C)C[C@@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000001641390 563288575 /nfs/dbraw/zinc/28/85/75/563288575.db2.gz FDNLKUJUVDJABD-MRXNPFEDSA-N 0 1 303.789 3.532 40 0 DHABMN CC[C@@H](C)O[P@](=O)(CC(=O)N(CC)CC)O[C@@H](C)CC ZINC000003075439 563321125 /nfs/dbraw/zinc/32/11/25/563321125.db2.gz XBEYPEFIJYPKLA-QNBIARANSA-N 0 1 307.371 3.678 40 0 DHABMN CCC[C@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1 ZINC000012147485 563362890 /nfs/dbraw/zinc/36/28/90/563362890.db2.gz YGGBUMQBDUGJPL-KRWDZBQOSA-N 0 1 322.412 3.670 40 0 DHABMN COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585095447 563515808 /nfs/dbraw/zinc/51/58/08/563515808.db2.gz QXFRXHOKQQAYOO-MRXNPFEDSA-N 0 1 323.440 3.638 40 0 DHABMN CO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110200 563533538 /nfs/dbraw/zinc/53/35/38/563533538.db2.gz RKZLCRJSTNEONC-DLBZAZTESA-N 0 1 316.470 3.531 40 0 DHABMN Cc1nccc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257202743 563789832 /nfs/dbraw/zinc/78/98/32/563789832.db2.gz ANFKGANZZYXKSZ-GOSISDBHSA-N 0 1 319.412 3.512 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CC2)n1 ZINC000329058527 563833433 /nfs/dbraw/zinc/83/34/33/563833433.db2.gz WDPWPBCALHQJFI-CYBMUJFWSA-N 0 1 308.429 3.565 40 0 DHABMN CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)n1 ZINC000329041320 563833546 /nfs/dbraw/zinc/83/35/46/563833546.db2.gz SIEJDMFMZCVINM-UHFFFAOYSA-N 0 1 310.445 3.940 40 0 DHABMN CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CC2)n1 ZINC000328985785 563959820 /nfs/dbraw/zinc/95/98/20/563959820.db2.gz HVGYQVGKIIAEGQ-CQSZACIVSA-N 0 1 322.456 4.126 40 0 DHABMN CCCCc1ccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000028210342 1022350953 /nfs/dbraw/zinc/35/09/53/1022350953.db2.gz ZYTGYDXSLQSQEZ-UHFFFAOYSA-N 0 1 321.380 3.518 40 0 DHABMN Cc1ccc[nH+]c1NCc1ccc(-c2ccccc2C(=O)[O-])cn1 ZINC000257279608 203009157 /nfs/dbraw/zinc/00/91/57/203009157.db2.gz OHIXSSMHIGOJTF-UHFFFAOYSA-N 0 1 319.364 3.762 40 0 DHABMN CC(C)(C)c1noc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000019084635 182104367 /nfs/dbraw/zinc/10/43/67/182104367.db2.gz DVIRLVJQLUVQKQ-GFCCVEGCSA-N 0 1 321.371 3.635 40 0 DHABMN Cc1cccc2c3c([nH]c21)CCN(C[C@@H](O)c1cccs1)C3 ZINC000019236586 182110669 /nfs/dbraw/zinc/11/06/69/182110669.db2.gz OYRKXBJTODMRPL-MRXNPFEDSA-N 0 1 312.438 3.630 40 0 DHABMN CC(O)=C1C[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O ZINC000390822405 257260642 /nfs/dbraw/zinc/26/06/42/257260642.db2.gz TUGDEWADZKLGJL-OEVSHUNASA-N 0 1 322.408 3.649 40 0 DHABMN Cc1cc2occ(CC(=O)NCc3cc(C4CC4)[nH]n3)c2cc1C ZINC000012147231 563363085 /nfs/dbraw/zinc/36/30/85/563363085.db2.gz WEADSQYVTQBYAB-UHFFFAOYSA-N 0 1 323.396 3.509 40 0 DHABMN CC(C)[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 ZINC000012147331 563363145 /nfs/dbraw/zinc/36/31/45/563363145.db2.gz NQXIAFFTSRJSIN-HNNXBMFYSA-N 0 1 317.458 3.867 40 0 DHABMN COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585095446 563516008 /nfs/dbraw/zinc/51/60/08/563516008.db2.gz QXFRXHOKQQAYOO-INIZCTEOSA-N 0 1 323.440 3.638 40 0 DHABMN Cc1ccc2cc(CNCc3ccccc3F)c(=O)[nH]c2c1C ZINC000013998953 563549415 /nfs/dbraw/zinc/54/94/15/563549415.db2.gz PGMQSDMUMYOQFJ-UHFFFAOYSA-N 0 1 310.372 3.574 40 0 DHABMN CCCCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063332 563644998 /nfs/dbraw/zinc/64/49/98/563644998.db2.gz RSYPVXFRUCYJMD-UHFFFAOYSA-N 0 1 322.880 3.858 40 0 DHABMN CCN1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 ZINC000225822094 563764247 /nfs/dbraw/zinc/76/42/47/563764247.db2.gz SYLGZUKPMZVTKS-UHFFFAOYSA-N 0 1 313.319 3.525 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257324340 563792754 /nfs/dbraw/zinc/79/27/54/563792754.db2.gz WOFMXDBBBPOGEL-CYBMUJFWSA-N 0 1 311.410 3.563 40 0 DHABMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000011754345 563835841 /nfs/dbraw/zinc/83/58/41/563835841.db2.gz DUBZITIVDSZLKP-ZDUSSCGKSA-N 0 1 309.196 3.502 40 0 DHABMN Cc1cccc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)[nH+]1 ZINC000257339197 203060970 /nfs/dbraw/zinc/06/09/70/203060970.db2.gz ZAQBCCYPRNLXMX-UHFFFAOYSA-N 0 1 308.337 3.960 40 0 DHABMN CCn1ncc(CN2CCCCC[C@@H]2c2cc(C)no2)c1C ZINC000019523950 182128253 /nfs/dbraw/zinc/12/82/53/182128253.db2.gz KUBBHBNYGDAYCB-MRXNPFEDSA-N 0 1 302.422 3.625 40 0 DHABMN Cc1ccc2nc(SC(=O)c3ccc4c(c3)OCO4)[nH]c2c1 ZINC000408618537 257229239 /nfs/dbraw/zinc/22/92/39/257229239.db2.gz DETRMHDEGSAAKX-UHFFFAOYSA-N 0 1 312.350 3.533 40 0 DHABMN Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CC2)n1 ZINC000328962106 257231043 /nfs/dbraw/zinc/23/10/43/257231043.db2.gz BHNQGLRDKGSYIY-UHFFFAOYSA-N 0 1 308.429 3.701 40 0 DHABMN CCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000014257539 563666129 /nfs/dbraw/zinc/66/61/29/563666129.db2.gz DDDYIHZRZCZFCE-UHFFFAOYSA-N 0 1 321.229 3.702 40 0 DHABMN CCc1nnc(C2=C(O)C(=Cc3ccccc3)SC2=N)s1 ZINC000006621452 563921657 /nfs/dbraw/zinc/92/16/57/563921657.db2.gz CNFNQQMSLUOUGS-FCQJRVMHSA-N 0 1 315.423 3.518 40 0 DHABMN CC(C)(C)Nc1nc(NCc2cccs2)cc(C2CC2)n1 ZINC000329036534 563959567 /nfs/dbraw/zinc/95/95/67/563959567.db2.gz RJVJMUZRUXDBMT-UHFFFAOYSA-N 0 1 302.447 4.238 40 0 DHABMN Cc1cc(C)c2c(n[nH]c2NCc2cccc3cccnc32)n1 ZINC000012143045 563362515 /nfs/dbraw/zinc/36/25/15/563362515.db2.gz SFRKEHYIDQKACN-UHFFFAOYSA-N 0 1 303.369 3.735 40 0 DHABMN c1coc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1 ZINC000585095039 563515827 /nfs/dbraw/zinc/51/58/27/563515827.db2.gz AUZUDCFPFMRGPG-KRWDZBQOSA-N 0 1 314.429 3.530 40 0 DHABMN c1coc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1 ZINC000585095039 563515829 /nfs/dbraw/zinc/51/58/29/563515829.db2.gz AUZUDCFPFMRGPG-KRWDZBQOSA-N 0 1 314.429 3.530 40 0 DHABMN COc1cc(-c2n[nH]c(-c3ccccc3Cl)n2)ccc1O ZINC000085384150 563568937 /nfs/dbraw/zinc/56/89/37/563568937.db2.gz YELWSGJUDZZZCS-UHFFFAOYSA-N 0 1 301.733 3.506 40 0 DHABMN CCN1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 ZINC000225827154 563764342 /nfs/dbraw/zinc/76/43/42/563764342.db2.gz JYSHXRVSPPKSSH-UHFFFAOYSA-N 0 1 313.319 3.525 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cccc2cccnc21 ZINC000257217569 563790569 /nfs/dbraw/zinc/79/05/69/563790569.db2.gz CZNSHKPJGGKWPB-MRXNPFEDSA-N 0 1 320.396 3.634 40 0 DHABMN c1nc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cs1 ZINC000257230642 563791327 /nfs/dbraw/zinc/79/13/27/563791327.db2.gz GDFFGVJSXXLOLE-AWEZNQCLSA-N 0 1 309.438 3.756 40 0 DHABMN COc1cccc(-c2cnc(NCc3ccc(F)cc3)n2C)c1 ZINC000000819155 563874468 /nfs/dbraw/zinc/87/44/68/563874468.db2.gz DFAICZYWKDHKBR-UHFFFAOYSA-N 0 1 311.360 3.847 40 0 DHABMN CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(C2CC2)n1 ZINC000329004280 563959581 /nfs/dbraw/zinc/95/95/81/563959581.db2.gz KQTULQQZANEAEH-UHFFFAOYSA-N 0 1 314.408 4.316 40 0 DHABMN Fc1cccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)c1 ZINC000072355497 191128692 /nfs/dbraw/zinc/12/86/92/191128692.db2.gz BZYKBGZWFIIRAX-SFHVURJKSA-N 0 1 322.387 3.744 40 0 DHABMN Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(C)C)s1 ZINC000072386993 191144726 /nfs/dbraw/zinc/14/47/26/191144726.db2.gz GLLDENFCHROCJR-LBPRGKRZSA-N 0 1 303.435 3.530 40 0 DHABMN CCCc1cc(=O)[nH]c(SCc2nc3ccc(C)cc3[nH]2)n1 ZINC000004938259 181175923 /nfs/dbraw/zinc/17/59/23/181175923.db2.gz VFZXVVVFCFXCAS-UHFFFAOYSA-N 0 1 314.414 3.612 40 0 DHABMN Cc1cc2nc(-c3cccc(N)c3)[nH]c2c(Br)c1 ZINC000073633933 191332129 /nfs/dbraw/zinc/33/21/29/191332129.db2.gz IAEMYBIYESQALN-UHFFFAOYSA-N 0 1 302.175 3.883 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2csc(C(C)C)c2)C1 ZINC000257338570 203061179 /nfs/dbraw/zinc/06/11/79/203061179.db2.gz YYAATJFHQLJRGQ-GFCCVEGCSA-N 0 1 303.431 3.533 40 0 DHABMN FC(F)(F)Oc1cc2[nH]c(Cl)nc2cc1Br ZINC000258840298 203070421 /nfs/dbraw/zinc/07/04/21/203070421.db2.gz ZPYKPSJWRZSAEY-UHFFFAOYSA-N 0 1 315.476 3.877 40 0 DHABMN CCCCc1ncc(CN[C@H](C)c2ccc(OC)c(F)c2)cn1 ZINC000019502377 182126692 /nfs/dbraw/zinc/12/66/92/182126692.db2.gz GJQDHAFXNLKQPA-CYBMUJFWSA-N 0 1 317.408 3.818 40 0 DHABMN CN(Cc1c[nH]nc1C(C)(C)C)Cc1cccc2ncccc12 ZINC000057811533 184055351 /nfs/dbraw/zinc/05/53/51/184055351.db2.gz CRZPDLNSULKVKK-UHFFFAOYSA-N 0 1 308.429 3.887 40 0 DHABMN CCC[C@@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039755704 257217513 /nfs/dbraw/zinc/21/75/13/257217513.db2.gz MVWWNSSSUAUWLH-CQSZACIVSA-N 0 1 322.880 3.857 40 0 DHABMN COc1ccc(CC(=O)Sc2nc3ccc(C)cc3[nH]2)cc1 ZINC000408624684 257228576 /nfs/dbraw/zinc/22/85/76/257228576.db2.gz VQBIMILMIDEFPN-UHFFFAOYSA-N 0 1 312.394 3.741 40 0 DHABMN CN(C)C[C@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001734032 563294587 /nfs/dbraw/zinc/29/45/87/563294587.db2.gz JGWXFZSRRMKVOL-SFHVURJKSA-N 0 1 309.409 3.710 40 0 DHABMN O=c1cc(CSc2ccccn2)[nH]n1-c1ccc(Cl)cc1 ZINC000009937267 563354621 /nfs/dbraw/zinc/35/46/21/563354621.db2.gz YRTGFNSJNODWFI-UHFFFAOYSA-N 0 1 317.801 3.919 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccoc3C)n2)cc1OCC ZINC000085385103 563569149 /nfs/dbraw/zinc/56/91/49/563569149.db2.gz IDOAFBBOHFPCCV-UHFFFAOYSA-N 0 1 313.357 3.838 40 0 DHABMN COc1ccc(Br)cc1CNCc1ccccc1 ZINC000008493027 563642874 /nfs/dbraw/zinc/64/28/74/563642874.db2.gz MPLUOBNJGUCPEA-UHFFFAOYSA-N 0 1 306.203 3.748 40 0 DHABMN Cc1ccc2nc(C(=O)N3CCn4cccc4[C@H]3C(C)C)[nH]c2c1 ZINC000013996232 563663776 /nfs/dbraw/zinc/66/37/76/563663776.db2.gz SHGGCHLZZZGISD-QGZVFWFLSA-N 0 1 322.412 3.526 40 0 DHABMN C[C@@H](C(=O)Nc1ccccc1F)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008226025 563719771 /nfs/dbraw/zinc/71/97/71/563719771.db2.gz OECUEFNXBZEQOJ-SOUVJXGZSA-N 0 1 304.409 3.665 40 0 DHABMN CCc1cccc(C)c1NS(=O)(=O)c1cc(F)ccc1OC ZINC000223691157 563735322 /nfs/dbraw/zinc/73/53/22/563735322.db2.gz VBBZAHLMANJAFQ-UHFFFAOYSA-N 0 1 323.389 3.506 40 0 DHABMN Cc1cn(C)c([C@@H]2CCN(Cc3ccc(F)cc3Cl)C2)n1 ZINC000257230677 563791891 /nfs/dbraw/zinc/79/18/91/563791891.db2.gz GDJUGRDRQCIECZ-CYBMUJFWSA-N 0 1 307.800 3.511 40 0 DHABMN COc1cc2nc(-c3ccc(N)cc3)[nH]c2c(Br)c1 ZINC000216917653 563858663 /nfs/dbraw/zinc/85/86/63/563858663.db2.gz AQXQEXXKOVPXAY-UHFFFAOYSA-N 0 1 318.174 3.583 40 0 DHABMN O=C([O-])[C@@H]1C[C@H]2C[C@H](C[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000665887160 563960508 /nfs/dbraw/zinc/96/05/08/563960508.db2.gz GEDUJKKTXUQVAR-MBOZVWFJSA-N 0 1 321.420 3.864 40 0 DHABMN C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2cccnc2Cl)no1 ZINC000013992538 1022011313 /nfs/dbraw/zinc/01/13/13/1022011313.db2.gz PNQYUOZSVJQINS-GHMZBOCLSA-N 0 1 306.797 3.548 40 0 DHABMN CC(C)c1nnc(NC(=O)c2ncoc2-c2cccs2)s1 ZINC000072346362 191127318 /nfs/dbraw/zinc/12/73/18/191127318.db2.gz IIBKJIDPRQTAGN-UHFFFAOYSA-N 0 1 320.399 3.630 40 0 DHABMN Cc1cn(C)c([C@@H]2CCCN2Cc2cccc3cccnc32)n1 ZINC000257296994 203020804 /nfs/dbraw/zinc/02/08/04/203020804.db2.gz RFHVQPLAOYYWRW-KRWDZBQOSA-N 0 1 306.413 3.614 40 0 DHABMN Cc1cn(C)c([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)n1 ZINC000257319989 203044686 /nfs/dbraw/zinc/04/46/86/203044686.db2.gz VUWUAFHPXNHSBB-ZDUSSCGKSA-N 0 1 307.800 3.511 40 0 DHABMN CC(C)(C)c1ccc(-c2n[nH]c(-c3cc(N)cc(N)c3)n2)cc1 ZINC000040169641 183043189 /nfs/dbraw/zinc/04/31/89/183043189.db2.gz ASPZOHUTFWJJTL-UHFFFAOYSA-N 0 1 307.401 3.601 40 0 DHABMN CC(C)(C)c1ccc(-c2nc(-c3cc(N)cc(N)c3)n[nH]2)cc1 ZINC000040169641 183043192 /nfs/dbraw/zinc/04/31/92/183043192.db2.gz ASPZOHUTFWJJTL-UHFFFAOYSA-N 0 1 307.401 3.601 40 0 DHABMN COc1cccc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)c1 ZINC000040174519 257129856 /nfs/dbraw/zinc/12/98/56/257129856.db2.gz QHUFRDGZWCPTBS-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN COc1cccc(-c2n[nH]c(CNc3ccc(Cl)cc3)n2)c1 ZINC000040174519 257129857 /nfs/dbraw/zinc/12/98/57/257129857.db2.gz QHUFRDGZWCPTBS-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1C ZINC000408700694 257228630 /nfs/dbraw/zinc/22/86/30/257228630.db2.gz KJZSXBWDFPVTIT-UHFFFAOYSA-N 0 1 319.426 3.928 40 0 DHABMN COc1ccc(C=CCNc2[nH]nc3nc(C)cc(C)c32)cc1 ZINC000012143048 563362498 /nfs/dbraw/zinc/36/24/98/563362498.db2.gz LAFGFPSGLMADHR-SNAWJCMRSA-N 0 1 308.385 3.709 40 0 DHABMN COc1ccc(CSc2nc3ccc(OC)cc3[nH]2)cc1 ZINC000014704729 563402928 /nfs/dbraw/zinc/40/29/28/563402928.db2.gz JBCWMHNPQOASMF-UHFFFAOYSA-N 0 1 300.383 3.872 40 0 DHABMN CO[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096206249 563535831 /nfs/dbraw/zinc/53/58/31/563535831.db2.gz YDMZLZHPINGFBY-WMZOPIPTSA-N 0 1 316.470 3.531 40 0 DHABMN Cc1c[nH]c(-c2cncc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000257224620 563790753 /nfs/dbraw/zinc/79/07/53/563790753.db2.gz FCPAKRRUOKFJPD-GOSISDBHSA-N 0 1 319.412 3.512 40 0 DHABMN Cc1c[nH]c(-c2cncc([C@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000257224620 563790757 /nfs/dbraw/zinc/79/07/57/563790757.db2.gz FCPAKRRUOKFJPD-GOSISDBHSA-N 0 1 319.412 3.512 40 0 DHABMN c1csc(C[C@H]2CCC[N@@H+](Cc3cnc4ccccc4n3)C2)n1 ZINC000257255610 563792242 /nfs/dbraw/zinc/79/22/42/563792242.db2.gz KIECIBMXEBLRSQ-CQSZACIVSA-N 0 1 324.453 3.541 40 0 DHABMN c1csc(C[C@H]2CCCN(Cc3cnc4ccccc4n3)C2)n1 ZINC000257255610 563792246 /nfs/dbraw/zinc/79/22/46/563792246.db2.gz KIECIBMXEBLRSQ-CQSZACIVSA-N 0 1 324.453 3.541 40 0 DHABMN CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)n1 ZINC000329059682 563833825 /nfs/dbraw/zinc/83/38/25/563833825.db2.gz WJEWBGQUPKIQJM-AWEZNQCLSA-N 0 1 310.445 3.983 40 0 DHABMN COc1cc2nc(-c3cc(OC)cc(OC)c3)[nH]c2c(Cl)c1 ZINC000216916799 563858629 /nfs/dbraw/zinc/85/86/29/563858629.db2.gz XZYQNQZTJXORJD-UHFFFAOYSA-N 0 1 318.760 3.909 40 0 DHABMN N[C@@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095533946 563931744 /nfs/dbraw/zinc/93/17/44/563931744.db2.gz OOXJQOIUSNADAJ-CYBMUJFWSA-N 0 1 319.195 3.827 40 0 DHABMN CCNc1nc(C(C)C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329044234 563959856 /nfs/dbraw/zinc/95/98/56/563959856.db2.gz SVKCMMSAPVUJBD-UHFFFAOYSA-N 0 1 324.472 4.373 40 0 DHABMN CC(C)Nc1nc(C(C)C)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329027808 563959928 /nfs/dbraw/zinc/95/99/28/563959928.db2.gz PSYVOSMPGGTMEO-OAHLLOKOSA-N 0 1 324.472 4.372 40 0 DHABMN CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCCCCC1 ZINC000004190500 181084061 /nfs/dbraw/zinc/08/40/61/181084061.db2.gz HXCDVFLRVSWOGS-INIZCTEOSA-N 0 1 305.470 3.751 40 0 DHABMN CCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000004909661 181171529 /nfs/dbraw/zinc/17/15/29/181171529.db2.gz GXQUQRSZLYEQMX-CQSZACIVSA-N 0 1 324.211 3.980 40 0 DHABMN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000006260717 181323873 /nfs/dbraw/zinc/32/38/73/181323873.db2.gz BMQMLQFXJOOBME-MLGOLLRUSA-N 0 1 319.836 3.553 40 0 DHABMN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@@H]1C ZINC000006267811 181324177 /nfs/dbraw/zinc/32/41/77/181324177.db2.gz BMQMLQFXJOOBME-BLLLJJGKSA-N 0 1 319.836 3.553 40 0 DHABMN Cc1ccc2nc(SCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000006506624 181347192 /nfs/dbraw/zinc/34/71/92/181347192.db2.gz HBXBRJHPQMKEIQ-UHFFFAOYSA-N 0 1 300.358 3.985 40 0 DHABMN CC(C)(C)c1noc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000019084609 182104396 /nfs/dbraw/zinc/10/43/96/182104396.db2.gz SVTNAKXPBOQHPC-GFCCVEGCSA-N 0 1 321.371 3.635 40 0 DHABMN Cc1ccc(C2=NC(C(=O)C(Cl)(Cl)Cl)C=C2)cc1 ZINC000521396084 336277566 /nfs/dbraw/zinc/27/75/66/336277566.db2.gz UWWDABXGKMICOW-NSHDSACASA-N 0 1 302.588 3.662 40 0 DHABMN Clc1ccc2nc3c(c(N4CCOCC4)c2c1)CCCC3 ZINC000001673174 563290728 /nfs/dbraw/zinc/29/07/28/563290728.db2.gz NMKJQHBKHZEHGO-UHFFFAOYSA-N 0 1 302.805 3.604 40 0 DHABMN CC1=NC[C@@H](C)Nc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000006175730 563332061 /nfs/dbraw/zinc/33/20/61/563332061.db2.gz FWLQUSMXSOWPNL-CYBMUJFWSA-N 0 1 317.392 3.614 40 0 DHABMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2 ZINC000012116844 563361786 /nfs/dbraw/zinc/36/17/86/563361786.db2.gz BDPZGOHBBJJAGZ-CYBMUJFWSA-N 0 1 323.440 3.658 40 0 DHABMN C[C@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000035080290 563486792 /nfs/dbraw/zinc/48/67/92/563486792.db2.gz ZRRQJEOGSURZRN-DJIMGWMZSA-N 0 1 316.445 3.689 40 0 DHABMN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000223433401 563734251 /nfs/dbraw/zinc/73/42/51/563734251.db2.gz XCJMOPMYTQTWEN-UHFFFAOYSA-N 0 1 313.831 3.863 40 0 DHABMN Cc1cc[nH+]c(NCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC000257246606 563791614 /nfs/dbraw/zinc/79/16/14/563791614.db2.gz IUVSIHUKUCZSSR-UHFFFAOYSA-N 0 1 308.337 3.960 40 0 DHABMN CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)n1 ZINC000329040205 563833741 /nfs/dbraw/zinc/83/37/41/563833741.db2.gz SBJDNYDQLIQJSN-UHFFFAOYSA-N 0 1 314.820 3.612 40 0 DHABMN COc1cc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c(Cl)c1 ZINC000216916733 563858644 /nfs/dbraw/zinc/85/86/44/563858644.db2.gz UAERJGPQPMMKTN-UHFFFAOYSA-N 0 1 318.760 3.909 40 0 DHABMN O=C([O-])[C@H]1C[C@H]2C[C@H](C[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000665887159 563960513 /nfs/dbraw/zinc/96/05/13/563960513.db2.gz GEDUJKKTXUQVAR-HLIPFELVSA-N 0 1 321.420 3.864 40 0 DHABMN Fc1ccc(Cn2c3ccccc3nc2CN2CCCC2)cc1 ZINC000076555528 185022738 /nfs/dbraw/zinc/02/27/38/185022738.db2.gz OYSHGKLBFYCLSK-UHFFFAOYSA-N 0 1 309.388 3.820 40 0 DHABMN Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccoc2)n1 ZINC000072366758 191136330 /nfs/dbraw/zinc/13/63/30/191136330.db2.gz YQNWKGXHOWXDQO-KRWDZBQOSA-N 0 1 308.385 3.506 40 0 DHABMN Cc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)o1 ZINC000072366754 191136620 /nfs/dbraw/zinc/13/66/20/191136620.db2.gz NTYRXICVRXATBU-QGZVFWFLSA-N 0 1 308.385 3.506 40 0 DHABMN CCC/C=C(\CC)[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000005417246 181240869 /nfs/dbraw/zinc/24/08/69/181240869.db2.gz DMZJJDDAKLEIIG-HARXRPJJSA-N 0 1 312.413 3.944 40 0 DHABMN CCn1cc(CN2CCCCC[C@@H]2c2cc(C)no2)c(C)n1 ZINC000019524542 182128592 /nfs/dbraw/zinc/12/85/92/182128592.db2.gz CIYNPUNMHSDXSO-MRXNPFEDSA-N 0 1 302.422 3.625 40 0 DHABMN COc1ccc(NCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000040174469 183043256 /nfs/dbraw/zinc/04/32/56/183043256.db2.gz JCXMFSYQYAGLHC-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN COc1ccc(NCc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000040174469 183043258 /nfs/dbraw/zinc/04/32/58/183043258.db2.gz JCXMFSYQYAGLHC-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN c1ccc(-c2n[nH]c(CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000040174579 183043292 /nfs/dbraw/zinc/04/32/92/183043292.db2.gz VEQAWJXOQKVNEM-UHFFFAOYSA-N 0 1 307.382 3.640 40 0 DHABMN c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc1 ZINC000040174579 183043294 /nfs/dbraw/zinc/04/32/94/183043294.db2.gz VEQAWJXOQKVNEM-UHFFFAOYSA-N 0 1 307.382 3.640 40 0 DHABMN Nc1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000064874551 257128868 /nfs/dbraw/zinc/12/88/68/257128868.db2.gz UCJQZGXYJGSHBF-UHFFFAOYSA-N 0 1 304.275 3.740 40 0 DHABMN Nc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000064874551 257128869 /nfs/dbraw/zinc/12/88/69/257128869.db2.gz UCJQZGXYJGSHBF-UHFFFAOYSA-N 0 1 304.275 3.740 40 0 DHABMN NC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000216919994 563858676 /nfs/dbraw/zinc/85/86/76/563858676.db2.gz IRYKGPABJQMHDG-UHFFFAOYSA-N 0 1 306.152 3.636 40 0 DHABMN CCOc1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000007057422 563336714 /nfs/dbraw/zinc/33/67/14/563336714.db2.gz HRYBRXHKHORBRS-UHFFFAOYSA-N 0 1 305.399 3.503 40 0 DHABMN CC[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc(F)cc1 ZINC000012147320 563362937 /nfs/dbraw/zinc/36/29/37/563362937.db2.gz CCCJMUMHXVPJGK-OAHLLOKOSA-N 0 1 315.392 3.699 40 0 DHABMN CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 ZINC000012147330 563363241 /nfs/dbraw/zinc/36/32/41/563363241.db2.gz NQXIAFFTSRJSIN-OAHLLOKOSA-N 0 1 317.458 3.867 40 0 DHABMN CC(C)(C)c1ccnc(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000013213129 563379401 /nfs/dbraw/zinc/37/94/01/563379401.db2.gz JQOCMXKPCSSXPW-UHFFFAOYSA-N 0 1 301.230 3.691 40 0 DHABMN Cc1c(Cl)ccc2c1[nH+]cc(C(=O)[O-])c2N1CCCCC1 ZINC000040165634 563460739 /nfs/dbraw/zinc/46/07/39/563460739.db2.gz LDYMHEWTJGUXAQ-UHFFFAOYSA-N 0 1 304.777 3.885 40 0 DHABMN CO[C@@H]1CCN(Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 ZINC000096110177 563533345 /nfs/dbraw/zinc/53/33/45/563533345.db2.gz SFKXYWNJFIHWDZ-DLBZAZTESA-N 0 1 316.470 3.531 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3cccc(C)c3)n2)cc1OC ZINC000085384473 563568945 /nfs/dbraw/zinc/56/89/45/563568945.db2.gz QZBARJHMDIXPPW-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN CCOc1ccc(-c2nc(-c3cccc(C)c3)n[nH]2)cc1OC ZINC000085384473 563568946 /nfs/dbraw/zinc/56/89/46/563568946.db2.gz QZBARJHMDIXPPW-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccc(N)cc3)n2)cc1OCC ZINC000085385287 563569224 /nfs/dbraw/zinc/56/92/24/563569224.db2.gz ZAJQYIIXWPTWQZ-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN CCOc1ccc(-c2nnc(-c3ccc(N)cc3)[nH]2)cc1OCC ZINC000085385287 563569228 /nfs/dbraw/zinc/56/92/28/563569228.db2.gz ZAJQYIIXWPTWQZ-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC ZINC000085384463 563569270 /nfs/dbraw/zinc/56/92/70/563569270.db2.gz CWOCYJWJXJXSCW-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN CCOc1ccc(-c2nnc(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000085384463 563569272 /nfs/dbraw/zinc/56/92/72/563569272.db2.gz CWOCYJWJXJXSCW-UHFFFAOYSA-N 0 1 309.369 3.854 40 0 DHABMN Cc1cccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)c1 ZINC000036646430 563679107 /nfs/dbraw/zinc/67/91/07/563679107.db2.gz HMZLOQWOULBPAO-UHFFFAOYSA-N 0 1 324.409 3.658 40 0 DHABMN Cc1ccc(NCc2ccc(-c3ccccc3C(=O)[O-])cn2)[nH+]c1 ZINC000257216543 563790560 /nfs/dbraw/zinc/79/05/60/563790560.db2.gz CUZHHLBPMKQTCL-UHFFFAOYSA-N 0 1 319.364 3.762 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cccc2ncccc21 ZINC000257233267 563791554 /nfs/dbraw/zinc/79/15/54/563791554.db2.gz GONSKRQBGPGCDU-QGZVFWFLSA-N 0 1 320.396 3.634 40 0 DHABMN CCCn1ccnc1C[N@H+]1CCC[C@@H]1CCc1ccnc(C)c1 ZINC000257258990 563792225 /nfs/dbraw/zinc/79/22/25/563792225.db2.gz KWJPPPKZBRGREC-GOSISDBHSA-N 0 1 312.461 3.594 40 0 DHABMN CC(C)Nc1nc(C(C)C)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329027807 563959619 /nfs/dbraw/zinc/95/96/19/563959619.db2.gz PSYVOSMPGGTMEO-HNNXBMFYSA-N 0 1 324.472 4.372 40 0 DHABMN CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC(C)C)n1 ZINC000329009028 563960349 /nfs/dbraw/zinc/96/03/49/563960349.db2.gz LUTGNQSJIOMZCF-UHFFFAOYSA-N 0 1 324.472 4.201 40 0 DHABMN COc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000054363327 1014178148 /nfs/dbraw/zinc/17/81/48/1014178148.db2.gz ZMSZQNHAVOONNT-UHFFFAOYSA-N 0 1 319.426 3.730 40 0 DHABMN Fc1cccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)c1 ZINC000072355496 191128835 /nfs/dbraw/zinc/12/88/35/191128835.db2.gz BZYKBGZWFIIRAX-GOSISDBHSA-N 0 1 322.387 3.744 40 0 DHABMN Cc1cn[nH]c1[C@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072388845 191147654 /nfs/dbraw/zinc/14/76/54/191147654.db2.gz VKIQQDWVHJSDNA-QGZVFWFLSA-N 0 1 317.820 3.565 40 0 DHABMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)OCc1ccccc1 ZINC000016696980 182058392 /nfs/dbraw/zinc/05/83/92/182058392.db2.gz KMIYYGARLIZKPI-LJQANCHMSA-N 0 1 324.424 3.577 40 0 DHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@@H](c4ccccc4)C3)c2c1 ZINC000019657082 182135548 /nfs/dbraw/zinc/13/55/48/182135548.db2.gz GEVYKZVGJAJRKC-OAHLLOKOSA-N 0 1 305.381 3.501 40 0 DHABMN COc1ccccc1[C@H]1CCCN1Cc1c(C)nc2ccccn21 ZINC000019654484 182134113 /nfs/dbraw/zinc/13/41/13/182134113.db2.gz XIVDCLZNBKRODR-QGZVFWFLSA-N 0 1 321.424 3.988 40 0 DHABMN CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215367 257125959 /nfs/dbraw/zinc/12/59/59/257125959.db2.gz CYRMQZWQBXZVQE-HNNXBMFYSA-N 0 1 317.433 3.752 40 0 DHABMN Cc1ccc2nc([C@H]3CCN(C(=O)Nc4ccccc4)C3)[nH]c2c1 ZINC000049168705 560084975 /nfs/dbraw/zinc/08/49/75/560084975.db2.gz UNMGDLFLPRFTJM-AWEZNQCLSA-N 0 1 320.396 3.893 40 0 biogenic,in-vitro DHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c2c1 ZINC000012116174 563361769 /nfs/dbraw/zinc/36/17/69/563361769.db2.gz MDVKBAGFNYKKHL-QGZVFWFLSA-N 0 1 320.396 3.634 40 0 DHABMN CCC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1 ZINC000012147486 563363044 /nfs/dbraw/zinc/36/30/44/563363044.db2.gz YGGBUMQBDUGJPL-QGZVFWFLSA-N 0 1 322.412 3.670 40 0 DHABMN Cc1nc(CN2C[C@H]3CCC[C@@H](C2)C3OCC(C)C)cs1 ZINC000096252713 563536520 /nfs/dbraw/zinc/53/65/20/563536520.db2.gz MAAXRXITVLCTCI-FKEKPDDDSA-N 0 1 308.491 3.725 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000257217395 563790675 /nfs/dbraw/zinc/79/06/75/563790675.db2.gz CYTIWEVFFIFDSC-INIZCTEOSA-N 0 1 315.392 3.544 40 0 DHABMN CC[C@H](C)Nc1nc(C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329001496 563960340 /nfs/dbraw/zinc/96/03/40/563960340.db2.gz KEXMFAHBJDOSOW-AWEZNQCLSA-N 0 1 324.472 4.337 40 0 DHABMN CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)cc1OC ZINC000054363365 1014178456 /nfs/dbraw/zinc/17/84/56/1014178456.db2.gz VYURTVRKDKJWTA-UHFFFAOYSA-N 0 1 319.426 3.675 40 0 DHABMN Clc1ccc2nc(-c3cncc(N4CCCCC4)n3)[nH]c2c1 ZINC000005491284 1023833456 /nfs/dbraw/zinc/83/34/56/1023833456.db2.gz CZYANAAEPWFDLI-UHFFFAOYSA-N 0 1 313.792 3.664 40 0 DHABMN FC(F)c1n[nH]c(SCc2cccc(Br)c2)n1 ZINC000216902785 1027994284 /nfs/dbraw/zinc/99/42/84/1027994284.db2.gz PDHOBJWEEMBBLU-UHFFFAOYSA-N 0 1 320.162 3.797 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC000072386318 191144720 /nfs/dbraw/zinc/14/47/20/191144720.db2.gz HLSPDTTXCAIIFW-CYBMUJFWSA-N 0 1 311.376 3.597 40 0 DHABMN C[C@@H]1CN(Cc2c3cccnc3[nH]c2C2CCCC2)C[C@H](C)O1 ZINC000072393346 191149404 /nfs/dbraw/zinc/14/94/04/191149404.db2.gz LCESVPMCNCNJJM-OKILXGFUSA-N 0 1 313.445 3.830 40 0 DHABMN CC(C)(C)OC(=O)C(=C(O)Cc1ccccc1)c1ccccc1 ZINC000003847979 181049316 /nfs/dbraw/zinc/04/93/16/181049316.db2.gz XYOUGEMLCVAPKX-GOSISDBHSA-N 0 1 310.393 3.924 40 0 DHABMN CN1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638876 191333871 /nfs/dbraw/zinc/33/38/71/191333871.db2.gz RTLVLAZGSRAEDQ-UHFFFAOYSA-N 0 1 309.232 3.778 40 0 DHABMN c1nc2c(ncnc2NC(c2ccccc2)c2ccccc2)[nH]1 ZINC000004994127 181186905 /nfs/dbraw/zinc/18/69/05/181186905.db2.gz UWJNBBOLPUOMST-UHFFFAOYSA-N 0 1 301.353 3.554 40 0 DHABMN CCC/C=C(\CC)[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000005417243 181240716 /nfs/dbraw/zinc/24/07/16/181240716.db2.gz DMZJJDDAKLEIIG-SCGCXBKJSA-N 0 1 312.413 3.944 40 0 DHABMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000016082885 182032145 /nfs/dbraw/zinc/03/21/45/182032145.db2.gz IDICLIGALZTBJB-CVEARBPZSA-N 0 1 315.800 3.640 40 0 DHABMN COc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1Br ZINC000022124674 182309192 /nfs/dbraw/zinc/30/91/92/182309192.db2.gz OIKJBZNLKPJRKE-UHFFFAOYSA-N 0 1 318.174 3.583 40 0 DHABMN Cc1ccsc1CN(CCCO)Cc1ccc(F)c(F)c1 ZINC000057822648 184055225 /nfs/dbraw/zinc/05/52/25/184055225.db2.gz VQHZPDBZKQJAMC-UHFFFAOYSA-N 0 1 311.397 3.719 40 0 DHABMN CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 ZINC000072209123 257128083 /nfs/dbraw/zinc/12/80/83/257128083.db2.gz SGYQSZMFUVRBHA-LBPRGKRZSA-N 0 1 307.781 3.603 40 0 DHABMN O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1 ZINC000071775437 257217290 /nfs/dbraw/zinc/21/72/90/257217290.db2.gz CNWKJIFYKGLTLI-OTWHNJEPSA-N 0 1 309.409 3.504 40 0 DHABMN O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1 ZINC000071775439 257217345 /nfs/dbraw/zinc/21/73/45/257217345.db2.gz CNWKJIFYKGLTLI-QRVBRYPASA-N 0 1 309.409 3.504 40 0 DHABMN Cc1nc(NS(=O)(=O)c2ccc(C(C)C)cc2)sc1C ZINC000028248685 431702940 /nfs/dbraw/zinc/70/29/40/431702940.db2.gz VBDZDQINCVASOG-UHFFFAOYSA-N 0 1 310.444 3.684 40 0 DHABMN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccnc2ccccc12 ZINC000012143989 563363195 /nfs/dbraw/zinc/36/31/95/563363195.db2.gz JFJSCFXWVWMKMH-MGPUTAFESA-N 0 1 316.408 3.595 40 0 DHABMN Cc1nn(C(C)C)c(C)c1CN(C)CCOc1ccccc1 ZINC000012188748 563363655 /nfs/dbraw/zinc/36/36/55/563363655.db2.gz KWEBWTBFVPANRP-UHFFFAOYSA-N 0 1 301.434 3.592 40 0 DHABMN COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000585094660 563515873 /nfs/dbraw/zinc/51/58/73/563515873.db2.gz RVEOTJGUXUKPEF-OAHLLOKOSA-N 0 1 304.459 3.527 40 0 DHABMN COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2sccc2C)C1 ZINC000585095465 563516028 /nfs/dbraw/zinc/51/60/28/563516028.db2.gz SEPKWYMQIPMNMZ-HNNXBMFYSA-N 0 1 304.459 3.527 40 0 DHABMN Cc1ccc(C)c2[nH]c(=O)c(CNCc3cccc(F)c3)cc12 ZINC000013998585 563549370 /nfs/dbraw/zinc/54/93/70/563549370.db2.gz WDNWHAODXINPBJ-UHFFFAOYSA-N 0 1 310.372 3.574 40 0 DHABMN COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)cc(OC)c1OC ZINC000070462784 563813171 /nfs/dbraw/zinc/81/31/71/563813171.db2.gz CXLQGKYOYJKZLD-UHFFFAOYSA-N 0 1 312.369 3.873 40 0 DHABMN NC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000216920353 563858779 /nfs/dbraw/zinc/85/87/79/563858779.db2.gz SEOQUTZUVWJGRT-UHFFFAOYSA-N 0 1 306.152 3.636 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@H](C)CC)n1 ZINC000328998057 563960286 /nfs/dbraw/zinc/96/02/86/563960286.db2.gz JRWBASWHQCPSEN-CABCVRRESA-N 0 1 324.472 4.201 40 0 DHABMN FC(F)c1n[nH]c(SCc2ccc(Br)cc2)n1 ZINC000216902942 1027994358 /nfs/dbraw/zinc/99/43/58/1027994358.db2.gz DRBRTHMFLLTEFQ-UHFFFAOYSA-N 0 1 320.162 3.797 40 0 DHABMN c1ccc(Oc2cncc(N3CC[C@]4(C[C@H]5CC[N@H+]4C5)C3)c2)cc1 ZINC000079042115 185148163 /nfs/dbraw/zinc/14/81/63/185148163.db2.gz ZJUHPOJXMRRNNF-UZLBHIALSA-N 0 1 321.424 3.548 40 0 DHABMN Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1 ZINC000257336234 203058246 /nfs/dbraw/zinc/05/82/46/203058246.db2.gz YNPWXWVICMZIBR-HNNXBMFYSA-N 0 1 314.433 3.528 40 0 DHABMN CCc1nnc(SCc2ccc(NC(=O)CC(C)C)cc2)[nH]1 ZINC000020611418 182238681 /nfs/dbraw/zinc/23/86/81/182238681.db2.gz RPYYLXSDYWSDFQ-UHFFFAOYSA-N 0 1 318.446 3.644 40 0 DHABMN CCc1n[nH]c(SCc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000020611418 182238683 /nfs/dbraw/zinc/23/86/83/182238683.db2.gz RPYYLXSDYWSDFQ-UHFFFAOYSA-N 0 1 318.446 3.644 40 0 DHABMN COc1ccc(-c2n[nH]c(CNc3ccc(Cl)cc3)n2)cc1 ZINC000040174521 183043600 /nfs/dbraw/zinc/04/36/00/183043600.db2.gz GLYDCKPBDYVDKG-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN COc1ccc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000040174521 183043603 /nfs/dbraw/zinc/04/36/03/183043603.db2.gz GLYDCKPBDYVDKG-UHFFFAOYSA-N 0 1 314.776 3.746 40 0 DHABMN Cc1cc(Br)cc2[nH]c(-c3ccc(N)cc3)nc21 ZINC000062152881 184209509 /nfs/dbraw/zinc/20/95/09/184209509.db2.gz VRYYSBJZRRNVOZ-UHFFFAOYSA-N 0 1 302.175 3.883 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC ZINC000072214789 257126028 /nfs/dbraw/zinc/12/60/28/257126028.db2.gz LKDPMAMQXKACMM-OAHLLOKOSA-N 0 1 319.449 4.000 40 0 DHABMN C[C@H](O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 ZINC000007276906 333003220 /nfs/dbraw/zinc/00/32/20/333003220.db2.gz BFWVOCHZZSKLLX-AWEZNQCLSA-N 0 1 308.381 3.685 40 0 DHABMN Cc1ccc2nc([C@H]3CCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000049168696 560084948 /nfs/dbraw/zinc/08/49/48/560084948.db2.gz GKJSWASVLAQECW-HNNXBMFYSA-N 0 1 305.381 3.501 40 0 biogenic,in-vitro DHABMN Nc1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1 ZINC000001728888 563293857 /nfs/dbraw/zinc/29/38/57/563293857.db2.gz JSRRUKFZSFNXAC-UHFFFAOYSA-N 0 1 304.353 3.660 40 0 DHABMN COc1c(C)cnc(CSc2nc3ccc(O)cc3[nH]2)c1C ZINC000035643828 563453837 /nfs/dbraw/zinc/45/38/37/563453837.db2.gz QAPIOBRWGYAHRI-UHFFFAOYSA-N 0 1 315.398 3.581 40 0 in-vitro DHABMN Cc1ccc(C)c2[nH]c(=O)c(CNCc3ccccc3F)cc12 ZINC000013998580 563549565 /nfs/dbraw/zinc/54/95/65/563549565.db2.gz QQOWIPAALKEGAH-UHFFFAOYSA-N 0 1 310.372 3.574 40 0 DHABMN Cc1ccc2nc(-c3ccc(C(=O)NCC(C)C)cc3)[nH]c2c1 ZINC000225259910 563750940 /nfs/dbraw/zinc/75/09/40/563750940.db2.gz LVHKRIKNZHRWBQ-UHFFFAOYSA-N 0 1 307.397 3.924 40 0 DHABMN CCCCc1nc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c[nH]1 ZINC000257228772 563790973 /nfs/dbraw/zinc/79/09/73/563790973.db2.gz FVDURGWMSZKENI-ZDUSSCGKSA-N 0 1 304.463 3.588 40 0 DHABMN Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257265784 563792599 /nfs/dbraw/zinc/79/25/99/563792599.db2.gz MAFRZYJQMINMCW-GOSISDBHSA-N 0 1 312.461 3.765 40 0 DHABMN Cc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000067801073 563868670 /nfs/dbraw/zinc/86/86/70/563868670.db2.gz KYQQHMLINDKHGT-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN Cc1cc(N2CCc3ccccc3C2)nc(NC2CCCC2)n1 ZINC000242965477 1018475946 /nfs/dbraw/zinc/47/59/46/1018475946.db2.gz HLJKRJSKJAGQCF-UHFFFAOYSA-N 0 1 308.429 3.702 40 0 DHABMN CC(C)(C)OC(=O)C(=C(O)Cc1ccccc1)c1ccccc1 ZINC000003847978 181049082 /nfs/dbraw/zinc/04/90/82/181049082.db2.gz XYOUGEMLCVAPKX-SFHVURJKSA-N 0 1 310.393 3.924 40 0 DHABMN COc1cc2nc(-c3cccc(N)c3)[nH]c2c(Br)c1 ZINC000216918047 201504306 /nfs/dbraw/zinc/50/43/06/201504306.db2.gz FELXJRUZPNTRNZ-UHFFFAOYSA-N 0 1 318.174 3.583 40 0 DHABMN C=CC=Cc1[nH]c(NC(=S)Nc2nc3ccccc3[nH]2)nc1C ZINC000016264946 182038860 /nfs/dbraw/zinc/03/88/60/182038860.db2.gz CZEHICHSNSBEQF-DAXSKMNVSA-N 0 1 324.413 3.603 40 0 DHABMN COc1cc2c(cc1CN1[C@@H]3CC[C@H]1Cc1ncccc13)CCC2 ZINC000019550506 182128835 /nfs/dbraw/zinc/12/88/35/182128835.db2.gz QIAIKVWDWZEBQT-FXAWDEMLSA-N 0 1 320.436 3.841 40 0 DHABMN Fc1ccc(NCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000040174551 183043082 /nfs/dbraw/zinc/04/30/82/183043082.db2.gz VTMGLPGXJIQTCY-UHFFFAOYSA-N 0 1 302.740 3.876 40 0 DHABMN Fc1ccc(NCc2nc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000040174551 183043084 /nfs/dbraw/zinc/04/30/84/183043084.db2.gz VTMGLPGXJIQTCY-UHFFFAOYSA-N 0 1 302.740 3.876 40 0 DHABMN Cc1ccc(CN(CCCn2ccnc2)Cc2ccsc2)o1 ZINC000043277748 183350335 /nfs/dbraw/zinc/35/03/35/183350335.db2.gz HJBCONLOSUYKIC-UHFFFAOYSA-N 0 1 315.442 3.939 40 0 DHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2c1 ZINC000012221583 563364702 /nfs/dbraw/zinc/36/47/02/563364702.db2.gz LYEPCAVIQZVIPG-QGZVFWFLSA-N 0 1 320.396 3.634 40 0 DHABMN CCOc1ccc(-c2nc(-c3ccccc3N)n[nH]2)cc1OCC ZINC000085385274 563569180 /nfs/dbraw/zinc/56/91/80/563569180.db2.gz VQVVGQDDBMBLBB-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccccc3N)n2)cc1OCC ZINC000085385274 563569182 /nfs/dbraw/zinc/56/91/82/563569182.db2.gz VQVVGQDDBMBLBB-UHFFFAOYSA-N 0 1 324.384 3.518 40 0 DHABMN c1nc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cs1 ZINC000257230643 563791547 /nfs/dbraw/zinc/79/15/47/563791547.db2.gz GDFFGVJSXXLOLE-CQSZACIVSA-N 0 1 309.438 3.756 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000257237212 563791636 /nfs/dbraw/zinc/79/16/36/563791636.db2.gz HFPCAKXFTSMHIW-INIZCTEOSA-N 0 1 309.413 3.504 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1c(C)onc1C(C)C ZINC000257251169 563792399 /nfs/dbraw/zinc/79/23/99/563792399.db2.gz JPSQGVSLDVLCRG-CYBMUJFWSA-N 0 1 316.405 3.505 40 0 DHABMN CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CC2)n1 ZINC000328965309 563832701 /nfs/dbraw/zinc/83/27/01/563832701.db2.gz CCXIQWWHSATNHG-UHFFFAOYSA-N 0 1 322.456 3.955 40 0 DHABMN Cc1cc(F)ccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067801008 563868659 /nfs/dbraw/zinc/86/86/59/563868659.db2.gz FALFHFSGCYZAIG-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN CCC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063430 563922501 /nfs/dbraw/zinc/92/25/01/563922501.db2.gz IWCKVEPKTVMVPM-AWEZNQCLSA-N 0 1 322.880 3.857 40 0 DHABMN CCC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063429 563922527 /nfs/dbraw/zinc/92/25/27/563922527.db2.gz IWCKVEPKTVMVPM-CQSZACIVSA-N 0 1 322.880 3.857 40 0 DHABMN Cc1ccccc1CNc1cc(C2CC2)nc(NC(C)(C)C)n1 ZINC000329057318 563960078 /nfs/dbraw/zinc/96/00/78/563960078.db2.gz VXNLSEDJYGBEFZ-UHFFFAOYSA-N 0 1 310.445 4.485 40 0 DHABMN Cc1ccc(CNc2cc(C3CC3)nc(NC(C)(C)C)n2)cc1 ZINC000329002875 563960140 /nfs/dbraw/zinc/96/01/40/563960140.db2.gz KKKBRJDNZRXYAY-UHFFFAOYSA-N 0 1 310.445 4.485 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000257336677 203057738 /nfs/dbraw/zinc/05/77/38/203057738.db2.gz YPNPFJCWULVWOL-INIZCTEOSA-N 0 1 315.392 3.544 40 0 DHABMN CCOC(=O)c1c[nH]c2c(cccc2C(F)(F)F)c1=S ZINC000040175668 183044218 /nfs/dbraw/zinc/04/42/18/183044218.db2.gz UYZRCGHTXHNOGK-UHFFFAOYSA-N 0 1 301.289 3.719 40 0 DHABMN Cc1ccc2ccccc2c1NC(=O)CNCc1ccccc1 ZINC000057462898 184038921 /nfs/dbraw/zinc/03/89/21/184038921.db2.gz XVTXLJBTLPGVFK-UHFFFAOYSA-N 0 1 304.393 3.877 40 0 DHABMN CCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214394 257126240 /nfs/dbraw/zinc/12/62/40/257126240.db2.gz HAUNIPIPAFSPKJ-CQSZACIVSA-N 0 1 305.422 3.976 40 0 DHABMN CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C ZINC000072214513 257126374 /nfs/dbraw/zinc/12/63/74/257126374.db2.gz DSXINVWLOVHLFQ-CQSZACIVSA-N 0 1 305.422 3.610 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C ZINC000072214813 257126419 /nfs/dbraw/zinc/12/64/19/257126419.db2.gz PPDBHDODHIOFBK-OAHLLOKOSA-N 0 1 319.449 4.000 40 0 DHABMN CN1CCC(=C2c3ccsc3[C@@H](O)Cc3ccccc32)CC1 ZINC000000347409 563242711 /nfs/dbraw/zinc/24/27/11/563242711.db2.gz TZHJFZBFWVCFAA-KRWDZBQOSA-N 0 1 311.450 3.865 40 0 DHABMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000008699174 563349067 /nfs/dbraw/zinc/34/90/67/563349067.db2.gz USODXQCOJVBWAY-DLBZAZTESA-N 0 1 315.800 3.640 40 0 DHABMN CCc1nc2ccc(NC(=O)c3csc(C(C)=O)c3)cc2[nH]1 ZINC000012116927 563362607 /nfs/dbraw/zinc/36/26/07/563362607.db2.gz WWBNESLWDCWTTK-UHFFFAOYSA-N 0 1 313.382 3.642 40 0 DHABMN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc2ncccc2c1 ZINC000012143987 563363132 /nfs/dbraw/zinc/36/31/32/563363132.db2.gz FVUGIGVESJLLPW-OXJNMPFZSA-N 0 1 316.408 3.595 40 0 DHABMN CC(C)CC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000014257541 563666226 /nfs/dbraw/zinc/66/62/26/563666226.db2.gz SMMUUHLCVCFYIZ-UHFFFAOYSA-N 0 1 321.229 3.558 40 0 DHABMN Cc1cn(C)c([C@H]2CCN(Cc3ccc(F)cc3Cl)C2)n1 ZINC000257230678 563791451 /nfs/dbraw/zinc/79/14/51/563791451.db2.gz GDJUGRDRQCIECZ-ZDUSSCGKSA-N 0 1 307.800 3.511 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1c(C)onc1C(C)C ZINC000257251170 563792654 /nfs/dbraw/zinc/79/26/54/563792654.db2.gz JPSQGVSLDVLCRG-ZDUSSCGKSA-N 0 1 316.405 3.505 40 0 DHABMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2ccccc2c1 ZINC000008300450 565095309 /nfs/dbraw/zinc/09/53/09/565095309.db2.gz HHOVJIACWDUNEP-ZAAXVRCTSA-N 0 1 322.452 3.690 40 0 biogenic,in-vitro DHABMN C[C@H]1CCC[C@H](C)N1Cc1nc(-c2cccnc2Cl)no1 ZINC000013992547 1022010226 /nfs/dbraw/zinc/01/02/26/1022010226.db2.gz PNQYUOZSVJQINS-QWRGUYRKSA-N 0 1 306.797 3.548 40 0 DHABMN C[N@@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccncc1 ZINC000072397101 191149852 /nfs/dbraw/zinc/14/98/52/191149852.db2.gz XPJATPVRIJFDDG-UHFFFAOYSA-N 0 1 318.380 3.850 40 0 DHABMN CN(C)C[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000006437106 181341209 /nfs/dbraw/zinc/34/12/09/181341209.db2.gz FDNLKUJUVDJABD-INIZCTEOSA-N 0 1 303.789 3.532 40 0 DHABMN CCC1=Nc2ccccc2NC(=N)C1c1ccc(OC)c(OC)c1 ZINC000020635374 182239883 /nfs/dbraw/zinc/23/98/83/182239883.db2.gz XFQXLZVKIQCHCG-UHFFFAOYSA-N 0 1 323.396 3.939 40 0 DHABMN CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 ZINC000072209131 257128417 /nfs/dbraw/zinc/12/84/17/257128417.db2.gz QHWMBKNRXCSAAF-CYBMUJFWSA-N 0 1 321.808 3.992 40 0 DHABMN CC(C)Cc1ncc(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000585260977 563536309 /nfs/dbraw/zinc/53/63/09/563536309.db2.gz LCNMSMCCGZBYCX-ZDUSSCGKSA-N 0 1 316.474 3.608 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000085384305 563569098 /nfs/dbraw/zinc/56/90/98/563569098.db2.gz GMOIMMCZHWKLKY-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN CCOc1ccc(-c2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000085384305 563569101 /nfs/dbraw/zinc/56/91/01/563569101.db2.gz GMOIMMCZHWKLKY-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN CCCCc1ncc(CN2CCCC[C@H]2c2n[nH]cc2C)[nH]1 ZINC000257213514 563790372 /nfs/dbraw/zinc/79/03/72/563790372.db2.gz CHWIBIMSLGNOJJ-HNNXBMFYSA-N 0 1 301.438 3.511 40 0 DHABMN FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC000257253357 563792319 /nfs/dbraw/zinc/79/23/19/563792319.db2.gz JYOAZPMFYGREIF-HNNXBMFYSA-N 0 1 307.319 3.833 40 0 DHABMN FC(F)(F)c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC000257253357 563792321 /nfs/dbraw/zinc/79/23/21/563792321.db2.gz JYOAZPMFYGREIF-HNNXBMFYSA-N 0 1 307.319 3.833 40 0 DHABMN COc1ccc(C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000000583270 563854489 /nfs/dbraw/zinc/85/44/89/563854489.db2.gz QMKKPUZLXMBJRD-UHFFFAOYSA-N 0 1 319.426 3.730 40 0 DHABMN COc1ccc(F)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000010302074 563922685 /nfs/dbraw/zinc/92/26/85/563922685.db2.gz FSBALJSYJWSIBX-UHFFFAOYSA-N 0 1 323.389 3.560 40 0 DHABMN CCOc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C ZINC000095095397 563930922 /nfs/dbraw/zinc/93/09/22/563930922.db2.gz AQNYDELVONKIJC-AWEZNQCLSA-N 0 1 301.390 3.567 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@H](C)CC)n1 ZINC000328998059 563960354 /nfs/dbraw/zinc/96/03/54/563960354.db2.gz JRWBASWHQCPSEN-HUUCEWRRSA-N 0 1 324.472 4.201 40 0 DHABMN Fc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072355430 191128919 /nfs/dbraw/zinc/12/89/19/191128919.db2.gz DHTUKQZEARSKPA-SFHVURJKSA-N 0 1 322.387 3.744 40 0 DHABMN Cc1ccc(NC(=O)CCC(=O)C=C(O)C(C)(C)C)cc1C ZINC000005400046 181239432 /nfs/dbraw/zinc/23/94/32/181239432.db2.gz YBKDWJUJOJWCCF-UHFFFAOYSA-N 0 1 303.402 3.597 40 0 DHABMN COc1ccc(CSC(=S)NNc2ccccc2)cc1 ZINC000006411215 181338851 /nfs/dbraw/zinc/33/88/51/181338851.db2.gz QSJCLNAUKCSFHK-UHFFFAOYSA-N 0 1 304.440 3.830 40 0 DHABMN Fc1ccc(-c2n[nH]c3c2CN(Cc2ccccc2)CC3)cc1 ZINC000019372297 182121193 /nfs/dbraw/zinc/12/11/93/182121193.db2.gz HXLUKBAZQVQNRK-UHFFFAOYSA-N 0 1 307.372 3.774 40 0 DHABMN CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC000040449922 183068463 /nfs/dbraw/zinc/06/84/63/183068463.db2.gz QBDMXAWIOLJMAS-UHFFFAOYSA-N 0 1 316.445 3.520 40 0 DHABMN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000060322498 184146318 /nfs/dbraw/zinc/14/63/18/184146318.db2.gz AQYLZKHXIRGHDO-CQSZACIVSA-N 0 1 322.880 3.713 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C ZINC000072214784 257126200 /nfs/dbraw/zinc/12/62/00/257126200.db2.gz LSHVDJPNNJFOJH-CQSZACIVSA-N 0 1 305.422 3.610 40 0 DHABMN CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 ZINC000072209138 257127963 /nfs/dbraw/zinc/12/79/63/257127963.db2.gz ZGUXBGQEUVEYCY-CYBMUJFWSA-N 0 1 321.808 3.993 40 0 DHABMN Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CC2)n1 ZINC000328957683 533912995 /nfs/dbraw/zinc/91/29/95/533912995.db2.gz AKYMZNXMNNABAJ-UHFFFAOYSA-N 0 1 314.820 3.575 40 0 DHABMN O=C(Oc1ccc(Cl)cc1Cl)Sc1nc(O)cs1 ZINC000001671018 563290675 /nfs/dbraw/zinc/29/06/75/563290675.db2.gz JLNXLAAFOZEIBM-UHFFFAOYSA-N 0 1 322.194 3.855 40 0 DHABMN CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC000071257569 563498497 /nfs/dbraw/zinc/49/84/97/563498497.db2.gz XVOLPXSAAZXUSP-UHFFFAOYSA-N 0 1 301.390 3.677 40 0 DHABMN CCOc1cc(-c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1O ZINC000085384591 563568940 /nfs/dbraw/zinc/56/89/40/563568940.db2.gz SWLPNZRZNIXXKI-UHFFFAOYSA-N 0 1 315.760 3.896 40 0 DHABMN CCOc1cc(-c2nc(-c3cccc(Cl)c3)n[nH]2)ccc1O ZINC000085384591 563568941 /nfs/dbraw/zinc/56/89/41/563568941.db2.gz SWLPNZRZNIXXKI-UHFFFAOYSA-N 0 1 315.760 3.896 40 0 DHABMN CCOc1cc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1O ZINC000085384599 563569028 /nfs/dbraw/zinc/56/90/28/563569028.db2.gz VGICGYLZDFTCJX-UHFFFAOYSA-N 0 1 315.760 3.896 40 0 DHABMN CCOc1cc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1O ZINC000085384599 563569029 /nfs/dbraw/zinc/56/90/29/563569029.db2.gz VGICGYLZDFTCJX-UHFFFAOYSA-N 0 1 315.760 3.896 40 0 DHABMN O=c1c2ccc(Br)cc2[nH]c(O)c1-c1ccccc1 ZINC000142931599 563772305 /nfs/dbraw/zinc/77/23/05/563772305.db2.gz OZZFVIAFBAUVNJ-UHFFFAOYSA-N 0 1 316.154 3.663 40 0 DHABMN O=c1[nH]c2cc(Br)ccc2c(O)c1-c1ccccc1 ZINC000142931599 563772306 /nfs/dbraw/zinc/77/23/06/563772306.db2.gz OZZFVIAFBAUVNJ-UHFFFAOYSA-N 0 1 316.154 3.663 40 0 DHABMN Cc1cnc(C2(C)CCN(Cc3ccnn3C(C)C)CC2)s1 ZINC000257202860 563789689 /nfs/dbraw/zinc/78/96/89/563789689.db2.gz ANSAYIMSTUCFJF-UHFFFAOYSA-N 0 1 318.490 3.783 40 0 DHABMN Fc1cccc(Cc2cnc([C@H]3CCCN3CC3CC3)o2)c1 ZINC000257245783 563791632 /nfs/dbraw/zinc/79/16/32/563791632.db2.gz IRBCWEXNCKEBHV-QGZVFWFLSA-N 0 1 300.377 3.951 40 0 DHABMN CCCCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063241 1021536371 /nfs/dbraw/zinc/53/63/71/1021536371.db2.gz BQUBOEDQOXKHOX-UHFFFAOYSA-N 0 1 322.880 3.858 40 0 DHABMN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@@H]1C ZINC000221933697 1024163809 /nfs/dbraw/zinc/16/38/09/1024163809.db2.gz BMQMLQFXJOOBME-LRDDRELGSA-N 0 1 319.836 3.553 40 0 DHABMN Cc1cnc2[nH]c(C(C)C)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000072395262 191149339 /nfs/dbraw/zinc/14/93/39/191149339.db2.gz VMCZPRQLNYTVSC-OKILXGFUSA-N 0 1 301.434 3.604 40 0 DHABMN Cc1cnc2[nH]c(C(C)C)c(CN3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000072395262 191149342 /nfs/dbraw/zinc/14/93/42/191149342.db2.gz VMCZPRQLNYTVSC-OKILXGFUSA-N 0 1 301.434 3.604 40 0 DHABMN Cc1cc(Br)cc2[nH]c(-c3cccc(N)c3)nc21 ZINC000073633935 191333335 /nfs/dbraw/zinc/33/33/35/191333335.db2.gz FOIKAXPQPVWRMA-UHFFFAOYSA-N 0 1 302.175 3.883 40 0 DHABMN CC(C)(C)c1noc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000019084611 182104349 /nfs/dbraw/zinc/10/43/49/182104349.db2.gz SVTNAKXPBOQHPC-LBPRGKRZSA-N 0 1 321.371 3.635 40 0 DHABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C ZINC000072214903 257125906 /nfs/dbraw/zinc/12/59/06/257125906.db2.gz UQCWOTAVSGPSEK-HNNXBMFYSA-N 0 1 319.449 3.998 40 0 DHABMN CCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214489 257125923 /nfs/dbraw/zinc/12/59/23/257125923.db2.gz VSMRKWUJCNCLKE-CQSZACIVSA-N 0 1 305.422 3.610 40 0 DHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000408701337 257228680 /nfs/dbraw/zinc/22/86/80/257228680.db2.gz WKFMJBUBOSOJRZ-UHFFFAOYSA-N 0 1 319.426 3.928 40 0 DHABMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000008699173 563349317 /nfs/dbraw/zinc/34/93/17/563349317.db2.gz USODXQCOJVBWAY-IAGOWNOFSA-N 0 1 315.800 3.640 40 0 DHABMN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc2ncccc2c1 ZINC000012143988 563362989 /nfs/dbraw/zinc/36/29/89/563362989.db2.gz FVUGIGVESJLLPW-UZLBHIALSA-N 0 1 316.408 3.595 40 0 DHABMN c1ccc2c(c1)N[C@H](c1cccc3cccnc31)N1CCCN=C21 ZINC000012144188 563363430 /nfs/dbraw/zinc/36/34/30/563363430.db2.gz BVEKBIFVUXRGMC-FQEVSTJZSA-N 0 1 314.392 3.811 40 0 DHABMN CC[C@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524938 563486101 /nfs/dbraw/zinc/48/61/01/563486101.db2.gz JNBSFQJXABHEKT-MSOLQXFVSA-N 0 1 317.454 3.567 40 0 DHABMN CO[C@H]1CCN(Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 ZINC000096110496 563533482 /nfs/dbraw/zinc/53/34/82/563533482.db2.gz SFKXYWNJFIHWDZ-IRXDYDNUSA-N 0 1 316.470 3.531 40 0 DHABMN O=C(Nc1c(F)cccc1F)c1snnc1-c1cccs1 ZINC000225788615 563763599 /nfs/dbraw/zinc/76/35/99/563763599.db2.gz RMFYEPPLGCBHLL-UHFFFAOYSA-N 0 1 323.349 3.797 40 0 DHABMN Cc1ccc[nH+]c1NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257209968 563789636 /nfs/dbraw/zinc/78/96/36/563789636.db2.gz BSONSTLYNJORKH-UHFFFAOYSA-N 0 1 308.337 3.960 40 0 DHABMN c1csc(C[C@@H]2CCC[N@@H+](Cc3cnc4ccccc4n3)C2)n1 ZINC000257255609 563792866 /nfs/dbraw/zinc/79/28/66/563792866.db2.gz KIECIBMXEBLRSQ-AWEZNQCLSA-N 0 1 324.453 3.541 40 0 DHABMN c1csc(C[C@@H]2CCCN(Cc3cnc4ccccc4n3)C2)n1 ZINC000257255609 563792867 /nfs/dbraw/zinc/79/28/67/563792867.db2.gz KIECIBMXEBLRSQ-AWEZNQCLSA-N 0 1 324.453 3.541 40 0 DHABMN Clc1ccc(CSc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000005996938 563921355 /nfs/dbraw/zinc/92/13/55/563921355.db2.gz OTAZVDJVZRRSKT-UHFFFAOYSA-N 0 1 302.790 3.812 40 0 DHABMN C#CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000065997175 563923291 /nfs/dbraw/zinc/92/32/91/563923291.db2.gz IPMNRCQHODJEGY-UFFVCSGVSA-N 0 1 319.286 3.558 40 0 DHABMN N[C@@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533954 563931798 /nfs/dbraw/zinc/93/17/98/563931798.db2.gz OYMTUGCDOCVIQE-CYBMUJFWSA-N 0 1 319.195 3.827 40 0 DHABMN N[C@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095533947 563931822 /nfs/dbraw/zinc/93/18/22/563931822.db2.gz OOXJQOIUSNADAJ-ZDUSSCGKSA-N 0 1 319.195 3.827 40 0 DHABMN S=c1[nH]nc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1 ZINC000006494006 181345508 /nfs/dbraw/zinc/34/55/08/181345508.db2.gz ZLQPAQFNKLZRJQ-UHFFFAOYSA-N 0 1 321.409 3.591 40 0 DHABMN Cc1ccc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)[nH+]c1 ZINC000257273406 203002349 /nfs/dbraw/zinc/00/23/49/203002349.db2.gz NGLLZLNUIJDMAB-UHFFFAOYSA-N 0 1 308.337 3.960 40 0 DHABMN Cc1cncc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257299948 203026159 /nfs/dbraw/zinc/02/61/59/203026159.db2.gz RSHFJBYLFOPZSP-GOSISDBHSA-N 0 1 319.412 3.512 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000257336678 203057534 /nfs/dbraw/zinc/05/75/34/203057534.db2.gz YPNPFJCWULVWOL-MRXNPFEDSA-N 0 1 315.392 3.544 40 0 DHABMN Cc1cn(C)c([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)n1 ZINC000257319988 203044661 /nfs/dbraw/zinc/04/46/61/203044661.db2.gz VUWUAFHPXNHSBB-CYBMUJFWSA-N 0 1 307.800 3.511 40 0 DHABMN Fc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000257341366 203063015 /nfs/dbraw/zinc/06/30/15/203063015.db2.gz ZKANVPBIYWKRRU-GOSISDBHSA-N 0 1 322.387 3.744 40 0 DHABMN COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OC ZINC000008469879 181557765 /nfs/dbraw/zinc/55/77/65/181557765.db2.gz UCSJGTJVRAGVQB-UHFFFAOYSA-N 0 1 309.768 3.786 40 0 DHABMN COc1ccccc1[C@@H]1CCCN1Cc1c(C)nc2ccccn21 ZINC000019654482 182134715 /nfs/dbraw/zinc/13/47/15/182134715.db2.gz XIVDCLZNBKRODR-KRWDZBQOSA-N 0 1 321.424 3.988 40 0 DHABMN O=C(CNCc1ccncc1)N(c1ccccc1)c1ccccc1 ZINC000021265828 182270034 /nfs/dbraw/zinc/27/00/34/182270034.db2.gz PDRYCGKZLSAYSM-UHFFFAOYSA-N 0 1 317.392 3.536 40 0 DHABMN Cc1cc(SC(C)(C)C)cnc1N1CCN(C(C)C)CC1 ZINC000072222677 257123764 /nfs/dbraw/zinc/12/37/64/257123764.db2.gz WEBNYFJIJUMZLK-UHFFFAOYSA-N 0 1 307.507 3.811 40 0 DHABMN Oc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000064874548 257128930 /nfs/dbraw/zinc/12/89/30/257128930.db2.gz BDTKNVADZZPLDP-UHFFFAOYSA-N 0 1 305.259 3.863 40 0 DHABMN Oc1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000064874548 257128931 /nfs/dbraw/zinc/12/89/31/257128931.db2.gz BDTKNVADZZPLDP-UHFFFAOYSA-N 0 1 305.259 3.863 40 0 DHABMN Cc1ccc(Sc2ccc(C=C3NC(=O)NC3=O)o2)cc1 ZINC000059137811 257217305 /nfs/dbraw/zinc/21/73/05/257217305.db2.gz AFCFLTKCBXPKIH-XYOKQWHBSA-N 0 1 300.339 3.760 40 0 DHABMN O=Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 ZINC000408553875 257229988 /nfs/dbraw/zinc/22/99/88/257229988.db2.gz QXQGKCDNXIBOQO-UHFFFAOYSA-N 0 1 305.746 3.682 40 0 DHABMN c1nc2c(ncnc2N(Cc2ccccc2)c2ccccc2)[nH]1 ZINC000006953954 563335004 /nfs/dbraw/zinc/33/50/04/563335004.db2.gz BZDLXVUKDQMUAD-UHFFFAOYSA-N 0 1 301.353 3.691 40 0 DHABMN O=S(=O)(Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000007052476 563335972 /nfs/dbraw/zinc/33/59/72/563335972.db2.gz ZMUUUDUNWPNSQD-UHFFFAOYSA-N 0 1 301.289 3.506 40 0 DHABMN Cc1ccc(-n2[nH]c(CSc3ccccn3)cc2=O)cc1C ZINC000009937151 563354633 /nfs/dbraw/zinc/35/46/33/563354633.db2.gz OTXDZHLXHMPWKL-UHFFFAOYSA-N 0 1 311.410 3.882 40 0 DHABMN O=C1CCCN1c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000012238757 563365617 /nfs/dbraw/zinc/36/56/17/563365617.db2.gz FIFDWKHQVCEXPH-UHFFFAOYSA-N 0 1 324.399 3.731 40 0 DHABMN CC[C@@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524937 563486310 /nfs/dbraw/zinc/48/63/10/563486310.db2.gz JNBSFQJXABHEKT-ROUUACIJSA-N 0 1 317.454 3.567 40 0 DHABMN C[C@@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000116597090 563565529 /nfs/dbraw/zinc/56/55/29/563565529.db2.gz ZRRQJEOGSURZRN-USXIJHARSA-N 0 1 316.445 3.689 40 0 DHABMN COc1cc(CNCc2ccccc2Cl)cc(OC)c1OC ZINC000008469961 563643647 /nfs/dbraw/zinc/64/36/47/563643647.db2.gz VXVPJECDUXSCSN-UHFFFAOYSA-N 0 1 321.804 3.656 40 0 DHABMN NC(=O)c1cc2nc(-c3ccc(Cl)cc3)[nH]c2c(Cl)c1 ZINC000216922645 563711939 /nfs/dbraw/zinc/71/19/39/563711939.db2.gz XFKCCJYADGWRNY-UHFFFAOYSA-N 0 1 306.152 3.636 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000257229788 563790943 /nfs/dbraw/zinc/79/09/43/563790943.db2.gz FZMFVWAWOAYUEK-AWEZNQCLSA-N 0 1 323.396 3.793 40 0 DHABMN c1csc(C[N@@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)n1 ZINC000257271686 563792580 /nfs/dbraw/zinc/79/25/80/563792580.db2.gz MZJNGMMETVRFLX-FVQHAEBGSA-N 0 1 314.454 3.570 40 0 DHABMN c1csc(CN2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)n1 ZINC000257271686 563792583 /nfs/dbraw/zinc/79/25/83/563792583.db2.gz MZJNGMMETVRFLX-FVQHAEBGSA-N 0 1 314.454 3.570 40 0 DHABMN FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC000257253358 563792845 /nfs/dbraw/zinc/79/28/45/563792845.db2.gz JYOAZPMFYGREIF-OAHLLOKOSA-N 0 1 307.319 3.833 40 0 DHABMN FC(F)(F)c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC000257253358 563792847 /nfs/dbraw/zinc/79/28/47/563792847.db2.gz JYOAZPMFYGREIF-OAHLLOKOSA-N 0 1 307.319 3.833 40 0 DHABMN CC(C)Nc1cc(N2CCc3ccccc3C2)nc(C(C)C)n1 ZINC000329031751 563833589 /nfs/dbraw/zinc/83/35/89/563833589.db2.gz QKYKEJCNOWKQQF-UHFFFAOYSA-N 0 1 310.445 3.983 40 0 DHABMN Cc1ccc2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)[nH]c2c1 ZINC000035442852 563867117 /nfs/dbraw/zinc/86/71/17/563867117.db2.gz IWPLOZYWPQSRHI-HNNXBMFYSA-N 0 1 311.429 3.768 40 0 biogenic,in-vitro DHABMN CC(C)(C)OC(=O)NC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000052909020 563868758 /nfs/dbraw/zinc/86/87/58/563868758.db2.gz INPOLVZYFMSOSM-UHFFFAOYSA-N 0 1 324.852 3.829 40 0 DHABMN Cc1c(F)cccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067801025 563868788 /nfs/dbraw/zinc/86/87/88/563868788.db2.gz VTOVVQNOILQDIF-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN Cc1cc(-c2noc([C@H]3CCCCN3)n2)cc(C)c1OC(C)C ZINC000095095402 563930884 /nfs/dbraw/zinc/93/08/84/563930884.db2.gz OUQOQKHALJADRV-OAHLLOKOSA-N 0 1 315.417 3.955 40 0 DHABMN COc1cc2nc(Cc3ccccc3)[nH]c2c(Br)c1 ZINC000216912261 1028009512 /nfs/dbraw/zinc/00/95/12/1028009512.db2.gz HRLSTRXIXGXWBJ-UHFFFAOYSA-N 0 1 317.186 3.925 40 0 DHABMN CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(F)cc32)CC1 ZINC000079036102 185147806 /nfs/dbraw/zinc/14/78/06/185147806.db2.gz TYEFAYBFYAEMQR-UHFFFAOYSA-N 0 1 319.380 3.817 40 0 DHABMN CCN(Cc1ccccc1)C(=O)c1cc([C@H]2CCCN2C)ccn1 ZINC000072369300 191139985 /nfs/dbraw/zinc/13/99/85/191139985.db2.gz MJRRCOUMNBXSSV-LJQANCHMSA-N 0 1 323.440 3.511 40 0 DHABMN Cc1cnc2[nH]c(C(C)C)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000072395264 191149241 /nfs/dbraw/zinc/14/92/41/191149241.db2.gz VMCZPRQLNYTVSC-KBPBESRZSA-N 0 1 301.434 3.604 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC000072386317 191145358 /nfs/dbraw/zinc/14/53/58/191145358.db2.gz HLSPDTTXCAIIFW-ZDUSSCGKSA-N 0 1 311.376 3.597 40 0 DHABMN CCCCN(CCCC)C(=O)c1c[nH]c2ccccc2c1=O ZINC000005645928 181268176 /nfs/dbraw/zinc/26/81/76/181268176.db2.gz HVJOVXDPOBWUIN-UHFFFAOYSA-N 0 1 300.402 3.571 40 0 DHABMN CC(C)(C)NC(=S)SCCOC(=O)Nc1ccccc1 ZINC000006357291 181333822 /nfs/dbraw/zinc/33/38/22/181333822.db2.gz WKFWFQWSFYXMTM-UHFFFAOYSA-N 0 1 312.460 3.641 40 0 DHABMN Fc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000257341367 203061792 /nfs/dbraw/zinc/06/17/92/203061792.db2.gz ZKANVPBIYWKRRU-SFHVURJKSA-N 0 1 322.387 3.744 40 0 DHABMN Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2 ZINC000039226989 183015599 /nfs/dbraw/zinc/01/55/99/183015599.db2.gz JPRXXCAURFMXJG-UHFFFAOYSA-N 0 1 321.420 3.995 40 0 DHABMN Fc1cccc(-c2n[nH]c(-c3ccc(Br)o3)n2)c1 ZINC000040164179 183043052 /nfs/dbraw/zinc/04/30/52/183043052.db2.gz QJNHZUIPSCRJPV-UHFFFAOYSA-N 0 1 308.110 3.633 40 0 DHABMN CC(C)(C)c1n[nH]c(CCNc2ccc(C(F)(F)F)cc2)n1 ZINC000062719334 184250568 /nfs/dbraw/zinc/25/05/68/184250568.db2.gz NHGXPIKWRIKNQF-UHFFFAOYSA-N 0 1 312.339 3.776 40 0 DHABMN CC(C)(C)c1nc(CCNc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000062719334 184250571 /nfs/dbraw/zinc/25/05/71/184250571.db2.gz NHGXPIKWRIKNQF-UHFFFAOYSA-N 0 1 312.339 3.776 40 0 DHABMN CCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214514 257126679 /nfs/dbraw/zinc/12/66/79/257126679.db2.gz ZDVKJQRKFCQYSR-OAHLLOKOSA-N 0 1 319.449 4.000 40 0 DHABMN C=C1N=C(SCCC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408989142 257224743 /nfs/dbraw/zinc/22/47/43/257224743.db2.gz KEAZINKXFYFZKK-HNNXBMFYSA-N 0 1 318.442 3.667 40 0 DHABMN Cc1cc(C(F)(F)F)c2c(NCc3cccs3)n[nH]c2n1 ZINC000012115906 563361602 /nfs/dbraw/zinc/36/16/02/563361602.db2.gz IWOPIWZKSHPXHG-UHFFFAOYSA-N 0 1 312.320 3.959 40 0 DHABMN COc1cc(C)c(CN2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1C ZINC000012186492 563363988 /nfs/dbraw/zinc/36/39/88/563363988.db2.gz ODFYFVAOVLTWEU-QFBILLFUSA-N 0 1 323.440 3.672 40 0 DHABMN Cc1ccc(C2(NCc3ccnn3[C@@H]3CCCCO3)CC2)cc1 ZINC000012238731 563365254 /nfs/dbraw/zinc/36/52/54/563365254.db2.gz VKYZIBSAOHSTBU-SFHVURJKSA-N 0 1 311.429 3.670 40 0 DHABMN CCCc1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000057823142 563478004 /nfs/dbraw/zinc/47/80/04/563478004.db2.gz UISUPFZYZNZGNK-UHFFFAOYSA-N 0 1 301.821 3.861 40 0 DHABMN CCCOc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C ZINC000095095399 563653355 /nfs/dbraw/zinc/65/33/55/563653355.db2.gz KLGGHIGXDYLJET-HNNXBMFYSA-N 0 1 315.417 3.957 40 0 DHABMN CCOc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C ZINC000095095398 563653690 /nfs/dbraw/zinc/65/36/90/563653690.db2.gz AQNYDELVONKIJC-CQSZACIVSA-N 0 1 301.390 3.567 40 0 DHABMN CC(C)[C@H]1CN(Cc2ccco2)CCN1Cc1cccs1 ZINC000057729364 563720681 /nfs/dbraw/zinc/72/06/81/563720681.db2.gz XFUZJKZQAOCQII-QGZVFWFLSA-N 0 1 304.459 3.684 40 0 DHABMN CCCn1ccnc1C[N@H+]1CCC[C@H]1CCc1ccnc(C)c1 ZINC000257258991 563792769 /nfs/dbraw/zinc/79/27/69/563792769.db2.gz KWJPPPKZBRGREC-SFHVURJKSA-N 0 1 312.461 3.594 40 0 DHABMN CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)n1 ZINC000329059685 563833631 /nfs/dbraw/zinc/83/36/31/563833631.db2.gz WJEWBGQUPKIQJM-CQSZACIVSA-N 0 1 310.445 3.983 40 0 DHABMN CC[C@H](C)Nc1nc(C)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329066346 563960255 /nfs/dbraw/zinc/96/02/55/563960255.db2.gz YAIDKHSLODENCW-AWEZNQCLSA-N 0 1 324.472 4.293 40 0 DHABMN CC(C)(C)OC(=O)n1cc(O)c2cc(Br)ccc21 ZINC000080443804 192157637 /nfs/dbraw/zinc/15/76/37/192157637.db2.gz UYKJMKACHJGPMV-UHFFFAOYSA-N 0 1 312.163 3.893 40 0 DHABMN Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(C)C)s1 ZINC000072386994 191145414 /nfs/dbraw/zinc/14/54/14/191145414.db2.gz GLLDENFCHROCJR-GFCCVEGCSA-N 0 1 303.435 3.530 40 0 DHABMN CCC/C=C(\CC)[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000005417240 181240909 /nfs/dbraw/zinc/24/09/09/181240909.db2.gz DMZJJDDAKLEIIG-OKYZRPEMSA-N 0 1 312.413 3.944 40 0 DHABMN Cc1ccc(C)c(NC(=O)CCC(=O)C=C(O)C(C)(C)C)c1 ZINC000005503995 181250387 /nfs/dbraw/zinc/25/03/87/181250387.db2.gz AGUZVYKWWWFYKP-UHFFFAOYSA-N 0 1 303.402 3.597 40 0 DHABMN Nc1cc(Cl)c(Cl)cc1-n1[nH]c(-c2ccccc2)cc1=O ZINC000016478010 182046256 /nfs/dbraw/zinc/04/62/56/182046256.db2.gz HSEQRYUUJWOPMW-UHFFFAOYSA-N 0 1 320.179 3.717 40 0 DHABMN I/C=C/CNCc1cccc2ccccc21 ZINC000022061484 182307229 /nfs/dbraw/zinc/30/72/29/182307229.db2.gz SQDOINGZYLZAOT-RUDMXATFSA-N 0 1 323.177 3.878 40 0 in-vitro DHABMN CC(O)=C1C[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O ZINC000390822406 257261042 /nfs/dbraw/zinc/26/10/42/257261042.db2.gz TUGDEWADZKLGJL-URCRYYGISA-N 0 1 322.408 3.649 40 0 DHABMN CC(C)CCc1c(O)nc(SCc2ccc(F)cc2)[nH]c1=O ZINC000013453849 563659601 /nfs/dbraw/zinc/65/96/01/563659601.db2.gz GHJFCQZHAPTAIF-UHFFFAOYSA-N 0 1 322.405 3.908 40 0 DHABMN CN1CCC(=C2c3ccsc3[C@H](O)Cc3ccccc32)CC1 ZINC000000347408 563242756 /nfs/dbraw/zinc/24/27/56/563242756.db2.gz TZHJFZBFWVCFAA-QGZVFWFLSA-N 0 1 311.450 3.865 40 0 DHABMN Nc1ccc(C(=O)OCc2nc3ccc4ccccc4c3[nH]2)cc1 ZINC000000911912 563273229 /nfs/dbraw/zinc/27/32/29/563273229.db2.gz NSAYEUKNGVRKSB-UHFFFAOYSA-N 0 1 317.348 3.655 40 0 DHABMN COCC[C@H]1Cn2cccc2C[N@@H+](Cc2sccc2C)C1 ZINC000585095466 563516170 /nfs/dbraw/zinc/51/61/70/563516170.db2.gz SEPKWYMQIPMNMZ-OAHLLOKOSA-N 0 1 304.459 3.527 40 0 DHABMN Cc1ccc2c(c1)OC1(CCN(Cc3ccccc3)CC1)CC2=O ZINC000225816337 563764187 /nfs/dbraw/zinc/76/41/87/563764187.db2.gz XZCCMLAQMNZVBB-UHFFFAOYSA-N 0 1 321.420 3.995 40 0 DHABMN CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2C(C)C)n1 ZINC000257234126 563791504 /nfs/dbraw/zinc/79/15/04/563791504.db2.gz GSGDCINYNIDUHB-QGZVFWFLSA-N 0 1 313.449 3.604 40 0 DHABMN Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000257256491 563792271 /nfs/dbraw/zinc/79/22/71/563792271.db2.gz KLRZXNHLSCZDAQ-INIZCTEOSA-N 0 1 306.413 3.646 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257324341 563792813 /nfs/dbraw/zinc/79/28/13/563792813.db2.gz WOFMXDBBBPOGEL-ZDUSSCGKSA-N 0 1 311.410 3.563 40 0 DHABMN CC(C)c1nc(NC2CC2)cc(N2CCc3ccccc3C2)n1 ZINC000328965946 563832614 /nfs/dbraw/zinc/83/26/14/563832614.db2.gz CHBXYGRBQVRLFN-UHFFFAOYSA-N 0 1 308.429 3.737 40 0 DHABMN CCc1cc(N2CCc3ccccc3C2)nc(NC2CCCC2)n1 ZINC000329030767 563833522 /nfs/dbraw/zinc/83/35/22/563833522.db2.gz QGGLKIASPZSPKI-UHFFFAOYSA-N 0 1 322.456 3.956 40 0 DHABMN Cc1cccc(-c2n[nH]c(SCC(=O)c3ccccc3)n2)c1 ZINC000033681207 568412929 /nfs/dbraw/zinc/41/29/29/568412929.db2.gz KCXYGUVTVCCFSG-UHFFFAOYSA-N 0 1 309.394 3.755 40 0 DHABMN Cn1nc(-c2ccccc2)cc1CNCc1ccc(F)s1 ZINC000256053971 1024640567 /nfs/dbraw/zinc/64/05/67/1024640567.db2.gz UKBNVYBVMWYFHL-UHFFFAOYSA-N 0 1 301.390 3.578 40 0 DHABMN CC[C@@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CC[N@H+](C2)[C@H]13 ZINC000005499967 181250413 /nfs/dbraw/zinc/25/04/13/181250413.db2.gz GZIPIZQXYGKJCX-GOYGXENFSA-N 0 1 324.468 3.947 40 0 DHABMN Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(CCC(=O)[O-])n2)c1 ZINC000257292440 203017673 /nfs/dbraw/zinc/01/76/73/203017673.db2.gz QLMFUQYVLVQYFH-LJQANCHMSA-N 0 1 324.424 3.744 40 0 DHABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C ZINC000072214724 257125952 /nfs/dbraw/zinc/12/59/52/257125952.db2.gz ZYIOUUXCLLIKAQ-OAHLLOKOSA-N 0 1 319.449 4.000 40 0 DHABMN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C ZINC000072214904 257126250 /nfs/dbraw/zinc/12/62/50/257126250.db2.gz UQCWOTAVSGPSEK-OAHLLOKOSA-N 0 1 319.449 3.998 40 0 DHABMN CCOc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 ZINC000072209124 257128214 /nfs/dbraw/zinc/12/82/14/257128214.db2.gz SGYQSZMFUVRBHA-GFCCVEGCSA-N 0 1 307.781 3.603 40 0 DHABMN CC(O)=C1C[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000390822407 257261018 /nfs/dbraw/zinc/26/10/18/257261018.db2.gz TUGDEWADZKLGJL-WIFSAFJESA-N 0 1 322.408 3.649 40 0 DHABMN CN1CCCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001677210 563290771 /nfs/dbraw/zinc/29/07/71/563290771.db2.gz URDGEWDSWDSTGN-UHFFFAOYSA-N 0 1 309.413 3.582 40 0 DHABMN O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@@H](O)c2ccccc2)N1 ZINC000071775436 563458891 /nfs/dbraw/zinc/45/88/91/563458891.db2.gz CNWKJIFYKGLTLI-IPMKNSEASA-N 0 1 309.409 3.504 40 0 DHABMN COc1cc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1O ZINC000085384107 563569292 /nfs/dbraw/zinc/56/92/92/563569292.db2.gz LAGOFPOITYIETR-UHFFFAOYSA-N 0 1 301.733 3.506 40 0 DHABMN COc1cc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1O ZINC000085384107 563569294 /nfs/dbraw/zinc/56/92/94/563569294.db2.gz LAGOFPOITYIETR-UHFFFAOYSA-N 0 1 301.733 3.506 40 0 DHABMN Cc1nccc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257202744 563789742 /nfs/dbraw/zinc/78/97/42/563789742.db2.gz ANFKGANZZYXKSZ-SFHVURJKSA-N 0 1 319.412 3.512 40 0 DHABMN CCCCc1ncc(CN2CCCC[C@@H]2c2n[nH]cc2C)[nH]1 ZINC000257213515 563790732 /nfs/dbraw/zinc/79/07/32/563790732.db2.gz CHWIBIMSLGNOJJ-OAHLLOKOSA-N 0 1 301.438 3.511 40 0 DHABMN Cc1cn(C)c([C@H]2CCN(Cc3ccc(Cl)cc3F)C2)n1 ZINC000257232654 563791682 /nfs/dbraw/zinc/79/16/82/563791682.db2.gz GLVWGNHKYJGHKU-ZDUSSCGKSA-N 0 1 307.800 3.511 40 0 DHABMN Cc1nccc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CCCC2)n1 ZINC000257258713 563792333 /nfs/dbraw/zinc/79/23/33/563792333.db2.gz KVEZHKZGIDCTKL-FQEVSTJZSA-N 0 1 322.456 3.722 40 0 DHABMN Cc1nccc([C@@H]2CCCN2Cc2ccccc2N2CCCC2)n1 ZINC000257258713 563792336 /nfs/dbraw/zinc/79/23/36/563792336.db2.gz KVEZHKZGIDCTKL-FQEVSTJZSA-N 0 1 322.456 3.722 40 0 DHABMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000096659571 185385273 /nfs/dbraw/zinc/38/52/73/185385273.db2.gz LVANXJORTOIIDN-UHFFFAOYSA-N 0 1 323.389 3.722 40 0 DHABMN C[C@@H](c1ccccn1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072203934 191075920 /nfs/dbraw/zinc/07/59/20/191075920.db2.gz AZUVUIZQXCYECR-LSDHHAIUSA-N 0 1 319.449 3.522 40 0 DHABMN Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccoc2)n1 ZINC000072366759 191137794 /nfs/dbraw/zinc/13/77/94/191137794.db2.gz YQNWKGXHOWXDQO-QGZVFWFLSA-N 0 1 308.385 3.506 40 0 DHABMN Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3)n2)c1 ZINC000006556999 181354219 /nfs/dbraw/zinc/35/42/19/181354219.db2.gz XOGGVMYUVIDAPO-UHFFFAOYSA-N 0 1 324.409 3.511 40 0 DHABMN Cc1cn(C)c([C@H]2CCCN2Cc2cccc3cccnc32)n1 ZINC000257296995 203020480 /nfs/dbraw/zinc/02/04/80/203020480.db2.gz RFHVQPLAOYYWRW-QGZVFWFLSA-N 0 1 306.413 3.614 40 0 DHABMN Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(CCC(=O)[O-])n2)c1 ZINC000257292439 203017636 /nfs/dbraw/zinc/01/76/36/203017636.db2.gz QLMFUQYVLVQYFH-IBGZPJMESA-N 0 1 324.424 3.744 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCN(C(=O)c2csc(C(C)C)c2)C1 ZINC000257338571 203059646 /nfs/dbraw/zinc/05/96/46/203059646.db2.gz YYAATJFHQLJRGQ-LBPRGKRZSA-N 0 1 303.431 3.533 40 0 DHABMN CCOc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)cc1 ZINC000012275818 181745339 /nfs/dbraw/zinc/74/53/39/181745339.db2.gz DGYYNZMRWACISA-IBGZPJMESA-N 0 1 313.445 3.936 40 0 DHABMN CC(C)(C)c1noc([C@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000019084637 182104254 /nfs/dbraw/zinc/10/42/54/182104254.db2.gz DVIRLVJQLUVQKQ-LBPRGKRZSA-N 0 1 321.371 3.635 40 0 DHABMN CCCCc1ncc(CN[C@@H](C)c2ccc(OC)c(F)c2)cn1 ZINC000019502375 182126483 /nfs/dbraw/zinc/12/64/83/182126483.db2.gz GJQDHAFXNLKQPA-ZDUSSCGKSA-N 0 1 317.408 3.818 40 0 DHABMN Cc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C ZINC000028304734 431705282 /nfs/dbraw/zinc/70/52/82/431705282.db2.gz KNGWCDDAMNNPSD-UHFFFAOYSA-N 0 1 324.471 3.858 40 0 DHABMN CCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000409090374 333399367 /nfs/dbraw/zinc/39/93/67/333399367.db2.gz PFMUGIXLOIHVKE-RUDMXATFSA-N 0 1 318.181 3.755 40 0 DHABMN Cc1ccc(C2=NC(C(=O)C(Cl)(Cl)Cl)C=C2)cc1 ZINC000521396083 336277581 /nfs/dbraw/zinc/27/75/81/336277581.db2.gz UWWDABXGKMICOW-LLVKDONJSA-N 0 1 302.588 3.662 40 0 DHABMN S=c1nc(Oc2ccc(-c3ccccc3)cc2)[nH]c(=S)[nH]1 ZINC000001588766 563286158 /nfs/dbraw/zinc/28/61/58/563286158.db2.gz LTRCIOFKUVAJRC-UHFFFAOYSA-N 0 1 313.407 3.908 40 0 DHABMN Cc1cccc(CN2CCC[C@]3(CCN(c4ccccc4)C3)C2)n1 ZINC000096216156 563535513 /nfs/dbraw/zinc/53/55/13/563535513.db2.gz VNIQHNWPWJGHLI-NRFANRHFSA-N 0 1 321.468 3.883 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1OC ZINC000085384427 563569087 /nfs/dbraw/zinc/56/90/87/563569087.db2.gz BMITXSGUUOYYBU-UHFFFAOYSA-N 0 1 301.371 3.608 40 0 DHABMN CC[C@H](C)Nc1nc(C(C)C)cc(N2CCc3ccccc3C2)n1 ZINC000329016484 563960266 /nfs/dbraw/zinc/96/02/66/563960266.db2.gz NHIGIAVEYZHRKK-HNNXBMFYSA-N 0 1 324.472 4.373 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@@H](C)CC)n1 ZINC000328998060 563960288 /nfs/dbraw/zinc/96/02/88/563960288.db2.gz JRWBASWHQCPSEN-LSDHHAIUSA-N 0 1 324.472 4.201 40 0 DHABMN Cn1cc(CNCc2ccc(F)s2)c(-c2ccccc2)n1 ZINC000256049856 1024640772 /nfs/dbraw/zinc/64/07/72/1024640772.db2.gz BTCJHPTVGIARDV-UHFFFAOYSA-N 0 1 301.390 3.578 40 0 DHABMN CCN(C(=O)c1cc([C@H]2CCCN2C)ccn1)C1CCCCC1 ZINC000072369302 191139129 /nfs/dbraw/zinc/13/91/29/191139129.db2.gz ZJPQKAYSDCIBAN-GOSISDBHSA-N 0 1 315.461 3.643 40 0 DHABMN CCN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1 ZINC000072369301 191138968 /nfs/dbraw/zinc/13/89/68/191138968.db2.gz ZJPQKAYSDCIBAN-SFHVURJKSA-N 0 1 315.461 3.643 40 0 DHABMN Cc1cnc2[nH]c(C(C)C)c(CN3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000072395263 191150163 /nfs/dbraw/zinc/15/01/63/191150163.db2.gz VMCZPRQLNYTVSC-ZIAGYGMSSA-N 0 1 301.434 3.604 40 0 DHABMN Cc1ccnc([C@]2(C)CCCN2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388527 191146242 /nfs/dbraw/zinc/14/62/42/191146242.db2.gz YLVCMDUYPFMMHV-IBGZPJMESA-N 0 1 306.413 3.778 40 0 DHABMN O=Cc1c(O)c2ncc1CSCc1ccc(cc1)CSC2 ZINC000005518704 181252341 /nfs/dbraw/zinc/25/23/41/181252341.db2.gz HSJJDPJFYAMOCA-UHFFFAOYSA-N 0 1 317.435 3.780 40 0 DHABMN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000195464844 201393163 /nfs/dbraw/zinc/39/31/63/201393163.db2.gz OFOBTUQSDUZIBP-AWEZNQCLSA-N 0 1 322.880 3.713 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000257217396 202952695 /nfs/dbraw/zinc/95/26/95/202952695.db2.gz CYTIWEVFFIFDSC-MRXNPFEDSA-N 0 1 315.392 3.544 40 0 DHABMN Cc1ccc(CN2CCN(CC3CC3)c3ncccc3C2)s1 ZINC000096060973 193513005 /nfs/dbraw/zinc/51/30/05/193513005.db2.gz MDCNJKFBUCAMAH-UHFFFAOYSA-N 0 1 313.470 3.684 40 0 DHABMN Cc1cc(=O)cc(C2CCN(Cc3ccc(F)cc3)CC2)[nH]1 ZINC000019570415 182131131 /nfs/dbraw/zinc/13/11/31/182131131.db2.gz SHAGEPCJBKKSQB-UHFFFAOYSA-N 0 1 300.377 3.614 40 0 DHABMN O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@@H](O)c2ccccc2)N1 ZINC000071775438 184840271 /nfs/dbraw/zinc/84/02/71/184840271.db2.gz CNWKJIFYKGLTLI-GUDVDZBRSA-N 0 1 309.409 3.504 40 0 DHABMN CC(C)N1CCN(c2cnn3ccc(-c4ccccc4)cc23)CC1 ZINC000306144154 529045262 /nfs/dbraw/zinc/04/52/62/529045262.db2.gz YXWHRJUBQYKDBD-UHFFFAOYSA-N 0 1 320.440 3.532 40 0 DHABMN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc2cccnc21 ZINC000012186459 563363854 /nfs/dbraw/zinc/36/38/54/563363854.db2.gz WPKKFFLMEUMDPA-APWZRJJASA-N 0 1 316.408 3.595 40 0 DHABMN CC(C)C(=O)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096071045 563532391 /nfs/dbraw/zinc/53/23/91/563532391.db2.gz JEVHUZFRDRJSDP-SFHVURJKSA-N 0 1 320.864 3.563 40 0 DHABMN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000257237213 563791729 /nfs/dbraw/zinc/79/17/29/563791729.db2.gz HFPCAKXFTSMHIW-MRXNPFEDSA-N 0 1 309.413 3.504 40 0 DHABMN Cc1c2c(sc1-c1ccccc1Cl)C[N@H+](CC(=O)[O-])CC2 ZINC000116359210 563923580 /nfs/dbraw/zinc/92/35/80/563923580.db2.gz YVFRSHCETUMOLJ-UHFFFAOYSA-N 0 1 321.829 3.820 40 0 DHABMN C[C@H](c1ccccn1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000101682196 568414987 /nfs/dbraw/zinc/41/49/87/568414987.db2.gz AZUVUIZQXCYECR-CABCVRRESA-N 0 1 319.449 3.522 40 0 DHABMN COc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OC ZINC000008493923 568416376 /nfs/dbraw/zinc/41/63/76/568416376.db2.gz MLGMRDLJPLECSJ-UHFFFAOYSA-N 0 1 315.760 3.809 40 0 DHABMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000008493923 568416377 /nfs/dbraw/zinc/41/63/77/568416377.db2.gz MLGMRDLJPLECSJ-UHFFFAOYSA-N 0 1 315.760 3.809 40 0 DHABMN Cc1ccc(-c2nc3ccc(NC(=O)c4ccco4)cc3[nH]2)o1 ZINC000004901447 181170254 /nfs/dbraw/zinc/17/02/54/181170254.db2.gz PAENDZDUHRZPJV-UHFFFAOYSA-N 0 1 307.309 3.977 40 0 DHABMN Cc1ccc2nc(-c3ccc(N)cc3Br)[nH]c2c1 ZINC000073639292 191335467 /nfs/dbraw/zinc/33/54/67/191335467.db2.gz URVWYAIPQRIEMY-UHFFFAOYSA-N 0 1 302.175 3.883 40 0 DHABMN CCn1ncc(CN2CCCCC[C@H]2c2cc(C)no2)c1C ZINC000019523951 182128232 /nfs/dbraw/zinc/12/82/32/182128232.db2.gz KUBBHBNYGDAYCB-INIZCTEOSA-N 0 1 302.422 3.625 40 0 DHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@H](c4ccccc4)C3)c2c1 ZINC000019657084 182135425 /nfs/dbraw/zinc/13/54/25/182135425.db2.gz GEVYKZVGJAJRKC-HNNXBMFYSA-N 0 1 305.381 3.501 40 0 DHABMN CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C ZINC000072214512 257126036 /nfs/dbraw/zinc/12/60/36/257126036.db2.gz DSXINVWLOVHLFQ-AWEZNQCLSA-N 0 1 305.422 3.610 40 0 DHABMN CCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214490 257126543 /nfs/dbraw/zinc/12/65/43/257126543.db2.gz VSMRKWUJCNCLKE-AWEZNQCLSA-N 0 1 305.422 3.610 40 0 DHABMN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C ZINC000072214812 257126694 /nfs/dbraw/zinc/12/66/94/257126694.db2.gz PPDBHDODHIOFBK-HNNXBMFYSA-N 0 1 319.449 4.000 40 0 DHABMN CCC[C@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039755705 257217517 /nfs/dbraw/zinc/21/75/17/257217517.db2.gz MVWWNSSSUAUWLH-AWEZNQCLSA-N 0 1 322.880 3.857 40 0 DHABMN C=C1N=C(SCCC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408989147 257224771 /nfs/dbraw/zinc/22/47/71/257224771.db2.gz KEAZINKXFYFZKK-OAHLLOKOSA-N 0 1 318.442 3.667 40 0 DHABMN C[C@@H](O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 ZINC000007277245 333003270 /nfs/dbraw/zinc/00/32/70/333003270.db2.gz BFWVOCHZZSKLLX-CQSZACIVSA-N 0 1 308.381 3.685 40 0 DHABMN O=c1c2cc(Br)ccc2[nH]c(O)c1-c1ccccc1 ZINC000020428303 563961539 /nfs/dbraw/zinc/96/15/39/563961539.db2.gz OMLREEQSQIWCSI-UHFFFAOYSA-N 0 1 316.154 3.663 40 0 DHABMN O=C(NC1c2ccccc2CCc2ccccc21)C(F)(F)F ZINC000001571339 563285511 /nfs/dbraw/zinc/28/55/11/563285511.db2.gz JXNTVEQIFHGUSF-UHFFFAOYSA-N 0 1 305.299 3.553 40 0 DHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2c1 ZINC000012221582 563364759 /nfs/dbraw/zinc/36/47/59/563364759.db2.gz LYEPCAVIQZVIPG-KRWDZBQOSA-N 0 1 320.396 3.634 40 0 DHABMN c1coc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1 ZINC000585095040 563515836 /nfs/dbraw/zinc/51/58/36/563515836.db2.gz AUZUDCFPFMRGPG-QGZVFWFLSA-N 0 1 314.429 3.530 40 0 DHABMN c1coc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1 ZINC000585095040 563515838 /nfs/dbraw/zinc/51/58/38/563515838.db2.gz AUZUDCFPFMRGPG-QGZVFWFLSA-N 0 1 314.429 3.530 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000085384477 563568928 /nfs/dbraw/zinc/56/89/28/563568928.db2.gz ILCFPDMQYRHQOE-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN CCOc1ccc(-c2nc(-c3cccc(F)c3)n[nH]2)cc1OC ZINC000085384477 563568930 /nfs/dbraw/zinc/56/89/30/563568930.db2.gz ILCFPDMQYRHQOE-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc2ccccc2o1 ZINC000257225141 563790999 /nfs/dbraw/zinc/79/09/99/563790999.db2.gz FFAIODAIVFRAGA-HKUYNNGSSA-N 0 1 312.413 3.522 40 0 DHABMN Cc1cnc(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)s1 ZINC000257262492 563792307 /nfs/dbraw/zinc/79/23/07/563792307.db2.gz LLPMZCVFVLWWLW-CQSZACIVSA-N 0 1 316.474 3.805 40 0 DHABMN c1ncc(C[N@@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)s1 ZINC000257271644 563792523 /nfs/dbraw/zinc/79/25/23/563792523.db2.gz MZEDIZXGGFTODM-FVQHAEBGSA-N 0 1 314.454 3.570 40 0 DHABMN Cc1cccc(CNc2cc(C3CC3)nc(NC(C)(C)C)n2)c1 ZINC000329030691 563960145 /nfs/dbraw/zinc/96/01/45/563960145.db2.gz QEUJPSPMBPRRAI-UHFFFAOYSA-N 0 1 310.445 4.485 40 0 DHABMN CCNc1cc([C@@H]2CCCN2Cc2ccc(C)cc2)nc(C)n1 ZINC000257323053 203047789 /nfs/dbraw/zinc/04/77/89/203047789.db2.gz WIOOWTLQRMPCDM-SFHVURJKSA-N 0 1 310.445 3.862 40 0 DHABMN CCCCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039762816 257217433 /nfs/dbraw/zinc/21/74/33/257217433.db2.gz FRDFOKHUTWEVRM-UHFFFAOYSA-N 0 1 322.880 3.858 40 0 DHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c2c1 ZINC000012116173 563361612 /nfs/dbraw/zinc/36/16/12/563361612.db2.gz MDVKBAGFNYKKHL-KRWDZBQOSA-N 0 1 320.396 3.634 40 0 DHABMN C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2 ZINC000012116845 563362628 /nfs/dbraw/zinc/36/26/28/563362628.db2.gz BDPZGOHBBJJAGZ-ZDUSSCGKSA-N 0 1 323.440 3.658 40 0 DHABMN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc2cccnc21 ZINC000012186457 563363768 /nfs/dbraw/zinc/36/37/68/563363768.db2.gz WPKKFFLMEUMDPA-QFBILLFUSA-N 0 1 316.408 3.595 40 0 DHABMN COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000585094659 563516049 /nfs/dbraw/zinc/51/60/49/563516049.db2.gz RVEOTJGUXUKPEF-HNNXBMFYSA-N 0 1 304.459 3.527 40 0 DHABMN CC(C)C(=O)N1CC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096071044 563532742 /nfs/dbraw/zinc/53/27/42/563532742.db2.gz JEVHUZFRDRJSDP-GOSISDBHSA-N 0 1 320.864 3.563 40 0 DHABMN CCOc1cc(-c2n[nH]c(-c3cccc(F)c3)n2)ccc1OC ZINC000085384971 563569021 /nfs/dbraw/zinc/56/90/21/563569021.db2.gz YVOIKPCVHXGRLG-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN CCOc1cc(-c2nc(-c3cccc(F)c3)n[nH]2)ccc1OC ZINC000085384971 563569024 /nfs/dbraw/zinc/56/90/24/563569024.db2.gz YVOIKPCVHXGRLG-UHFFFAOYSA-N 0 1 313.332 3.685 40 0 DHABMN Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257265785 563792460 /nfs/dbraw/zinc/79/24/60/563792460.db2.gz MAFRZYJQMINMCW-SFHVURJKSA-N 0 1 312.461 3.765 40 0 DHABMN CCc1ccc(CC)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000005234950 181219911 /nfs/dbraw/zinc/21/99/11/181219911.db2.gz FJYWTRZBKDFLKQ-UHFFFAOYSA-N 0 1 319.426 3.621 40 0 DHABMN CCn1c(CNc2[nH]nc3nc(C)cc(C)c32)nc2ccccc21 ZINC000012115903 181730042 /nfs/dbraw/zinc/73/00/42/181730042.db2.gz XWYOUHXXJJPQEH-UHFFFAOYSA-N 0 1 320.400 3.556 40 0 DHABMN N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000021503001 182275763 /nfs/dbraw/zinc/27/57/63/182275763.db2.gz DUBZITIVDSZLKP-CYBMUJFWSA-N 0 1 309.196 3.502 40 0 DHABMN CC(C)OCCCN(Cc1cccs1)Cc1ccncc1 ZINC000057797105 184053090 /nfs/dbraw/zinc/05/30/90/184053090.db2.gz UGXFCOJZTNLENP-UHFFFAOYSA-N 0 1 304.459 3.960 40 0 DHABMN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000060322499 184146294 /nfs/dbraw/zinc/14/62/94/184146294.db2.gz AQYLZKHXIRGHDO-AWEZNQCLSA-N 0 1 322.880 3.713 40 0 DHABMN CC(C)(C)c1n[nH]c(CCNc2cccc(C(F)(F)F)c2)n1 ZINC000062719310 184250501 /nfs/dbraw/zinc/25/05/01/184250501.db2.gz OEYNTTQHFQNOOH-UHFFFAOYSA-N 0 1 312.339 3.776 40 0 DHABMN CC(C)(C)c1nc(CCNc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000062719310 184250502 /nfs/dbraw/zinc/25/05/02/184250502.db2.gz OEYNTTQHFQNOOH-UHFFFAOYSA-N 0 1 312.339 3.776 40 0 DHABMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000006234021 257218603 /nfs/dbraw/zinc/21/86/03/257218603.db2.gz ZMZXUXIJLUNGRV-UHFFFAOYSA-N 0 1 324.409 3.511 40 0 DHABMN S=c1nc(Oc2ccc(Cl)c(Cl)c2)[nH]c(=S)[nH]1 ZINC000001624646 563288166 /nfs/dbraw/zinc/28/81/66/563288166.db2.gz IUUDWMJJBJLTDS-UHFFFAOYSA-N 0 1 306.199 3.922 40 0 DHABMN CCOc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc1 ZINC000012275815 563365745 /nfs/dbraw/zinc/36/57/45/563365745.db2.gz DGYYNZMRWACISA-LJQANCHMSA-N 0 1 313.445 3.936 40 0 DHABMN c1ccc(CCN(Cc2ccncc2)Cc2ccccn2)cc1 ZINC000013990070 563547037 /nfs/dbraw/zinc/54/70/37/563547037.db2.gz XOMFMNNPTONNKO-UHFFFAOYSA-N 0 1 303.409 3.722 40 0 DHABMN Cc1cccc(-c2n[nH]c(CSc3nc4ccccc4[nH]3)n2)c1 ZINC000040174589 563751438 /nfs/dbraw/zinc/75/14/38/563751438.db2.gz CDOVRTWQOLZHLY-UHFFFAOYSA-N 0 1 321.409 3.949 40 0 DHABMN Cc1cccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)c1 ZINC000040174589 563751441 /nfs/dbraw/zinc/75/14/41/563751441.db2.gz CDOVRTWQOLZHLY-UHFFFAOYSA-N 0 1 321.409 3.949 40 0 DHABMN Cc1cnc(-c2cc([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)s1 ZINC000257262491 563792532 /nfs/dbraw/zinc/79/25/32/563792532.db2.gz LLPMZCVFVLWWLW-AWEZNQCLSA-N 0 1 316.474 3.805 40 0 DHABMN CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CC2)n1 ZINC000329009103 563832790 /nfs/dbraw/zinc/83/27/90/563832790.db2.gz LVRBEYUPUKPRJT-UHFFFAOYSA-N 0 1 322.456 3.911 40 0 DHABMN CC(=O)Nc1cccc(-c2n[nH]c(SCc3ccccc3)n2)c1 ZINC000007605048 563922124 /nfs/dbraw/zinc/92/21/24/563922124.db2.gz JSTRRJRZWWXFDL-UHFFFAOYSA-N 0 1 324.409 3.722 40 0 DHABMN C[C@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004968579 181181434 /nfs/dbraw/zinc/18/14/34/181181434.db2.gz HUAVVMNRDYDBOF-KRWDZBQOSA-N 0 1 322.452 3.767 40 0 DHABMN COc1cc(CN2CCCCC[C@@H]2c2cc(C)no2)ccc1O ZINC000019120244 182105411 /nfs/dbraw/zinc/10/54/11/182105411.db2.gz BNUNRMVRUYLRDA-OAHLLOKOSA-N 0 1 316.401 3.815 40 0 DHABMN CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215368 257125982 /nfs/dbraw/zinc/12/59/82/257125982.db2.gz CYRMQZWQBXZVQE-OAHLLOKOSA-N 0 1 317.433 3.752 40 0 DHABMN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C ZINC000072214723 257126232 /nfs/dbraw/zinc/12/62/32/257126232.db2.gz ZYIOUUXCLLIKAQ-HNNXBMFYSA-N 0 1 319.449 4.000 40 0 DHABMN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cn(C)c2ccccc12 ZINC000012143993 563363020 /nfs/dbraw/zinc/36/30/20/563363020.db2.gz HSFDAADITFXNSR-MGPUTAFESA-N 0 1 318.424 3.539 40 0 DHABMN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cn(C)c2ccccc12 ZINC000012143994 563363283 /nfs/dbraw/zinc/36/32/83/563363283.db2.gz HSFDAADITFXNSR-QRWLVFNGSA-N 0 1 318.424 3.539 40 0 DHABMN CSc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 ZINC000012344724 563366842 /nfs/dbraw/zinc/36/68/42/563366842.db2.gz YVFOPDXJFFWVDK-UHFFFAOYSA-N 0 1 317.433 3.897 40 0 DHABMN CCc1[nH+]ccn1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257249430 563506273 /nfs/dbraw/zinc/50/62/73/563506273.db2.gz JIHNYYFSZLOXQA-UHFFFAOYSA-N 0 1 306.365 3.859 40 0 DHABMN CC(C)(C)OC(=O)N1CCC(c2n[nH]c3cc(F)ccc32)CC1 ZINC000095913030 563530576 /nfs/dbraw/zinc/53/05/76/563530576.db2.gz JCVMAMNYCHBQNE-UHFFFAOYSA-N 0 1 319.380 3.817 40 0 DHABMN CC(C)OCCCN(Cc1cccs1)Cc1ccccn1 ZINC000013991070 563547016 /nfs/dbraw/zinc/54/70/16/563547016.db2.gz RTBLRXZGJDALMT-UHFFFAOYSA-N 0 1 304.459 3.960 40 0 DHABMN C[C@@H]1CCC[C@H](C)N1Cc1nc(-c2cccnc2Cl)no1 ZINC000013992544 1022009501 /nfs/dbraw/zinc/00/95/01/1022009501.db2.gz PNQYUOZSVJQINS-PHIMTYICSA-N 0 1 306.797 3.548 40 0 DHABMN CC(C)c1nc2ccc(NC(=O)c3ccc([N-][N+]#N)nc3)cc2[nH]1 ZINC000095474999 185373117 /nfs/dbraw/zinc/37/31/17/185373117.db2.gz NPQNJBUFRJGOLK-UHFFFAOYSA-O 0 1 322.352 3.514 40 0 DHABMN Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1F ZINC000096659568 185385253 /nfs/dbraw/zinc/38/52/53/185385253.db2.gz AYWUQVDGKDYSGE-UHFFFAOYSA-N 0 1 323.389 3.722 40 0 DHABMN CCCn1cc(CNC2(c3ccccc3OC)CCCC2)cn1 ZINC000012344509 190635825 /nfs/dbraw/zinc/63/58/25/190635825.db2.gz MYRVJLIJZFRCLV-UHFFFAOYSA-N 0 1 313.445 3.861 40 0 DHABMN Cc1nc2c(ncnc2NCc2ccc(Cl)cc2Cl)[nH]1 ZINC000001845555 180898961 /nfs/dbraw/zinc/89/89/61/180898961.db2.gz NROMEPAZSWXQQQ-UHFFFAOYSA-N 0 1 308.172 3.580 40 0 DHABMN CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCCCC1 ZINC000004190505 181083756 /nfs/dbraw/zinc/08/37/56/181083756.db2.gz HXCDVFLRVSWOGS-MRXNPFEDSA-N 0 1 305.470 3.751 40 0 DHABMN CN(C)C[C@@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000006437109 181341363 /nfs/dbraw/zinc/34/13/63/181341363.db2.gz JGWXFZSRRMKVOL-GOSISDBHSA-N 0 1 309.409 3.710 40 0 DHABMN COc1cc(CN2CCCCC[C@H]2c2cc(C)no2)ccc1O ZINC000019120247 182105136 /nfs/dbraw/zinc/10/51/36/182105136.db2.gz BNUNRMVRUYLRDA-HNNXBMFYSA-N 0 1 316.401 3.815 40 0 DHABMN C=C1N=C(SC(C)C)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408987129 257224671 /nfs/dbraw/zinc/22/46/71/257224671.db2.gz DOIKNWAYUHSBTR-OAHLLOKOSA-N 0 1 318.442 3.666 40 0 DHABMN Cc1ccc([C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000514250861 257215669 /nfs/dbraw/zinc/21/56/69/257215669.db2.gz QEIKBFNVOBKPEO-HXUWFJFHSA-N 0 1 309.409 3.613 40 0 DHABMN CC(O)=C1C[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000390822404 257261123 /nfs/dbraw/zinc/26/11/23/257261123.db2.gz TUGDEWADZKLGJL-IGPVLCEISA-N 0 1 322.408 3.649 40 0 DHABMN CN1CC(O)=C(c2ccccc2Oc2ccc(Cl)cc2)C1=O ZINC000100038176 563544997 /nfs/dbraw/zinc/54/49/97/563544997.db2.gz KVJWENUOONPUIS-UHFFFAOYSA-N 0 1 315.756 3.873 40 0 in-vitro DHABMN COc1ccc(CN[C@H](C)c2ccccc2)c(OC)c1OC ZINC000008535330 563643530 /nfs/dbraw/zinc/64/35/30/563643530.db2.gz SJXKXZOMERWMTI-CYBMUJFWSA-N 0 1 301.386 3.563 40 0 DHABMN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000225219845 563750386 /nfs/dbraw/zinc/75/03/86/563750386.db2.gz KQHVQLQFCSWEST-AWEZNQCLSA-N 0 1 322.880 3.713 40 0 DHABMN Cc1ccc2nc(-c3ccc(C(=O)N4CCCC4)cc3)[nH]c2c1 ZINC000225263220 563751006 /nfs/dbraw/zinc/75/10/06/563751006.db2.gz JAJDJKWYXZQVNM-UHFFFAOYSA-N 0 1 305.381 3.774 40 0 DHABMN CC(C)[N@H+]1CC[C@@H](Cc2cccnc2-c2ccccc2C(=O)[O-])C1 ZINC000257223599 563790855 /nfs/dbraw/zinc/79/08/55/563790855.db2.gz DYBDORGRYDZLBM-HNNXBMFYSA-N 0 1 324.424 3.720 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cccc2cccnc21 ZINC000257217568 563790963 /nfs/dbraw/zinc/79/09/63/563790963.db2.gz CZNSHKPJGGKWPB-INIZCTEOSA-N 0 1 320.396 3.634 40 0 DHABMN Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(CCC(=O)[O-])n1 ZINC000257242353 563791757 /nfs/dbraw/zinc/79/17/57/563791757.db2.gz ICBLUNVWNLNJIN-LJQANCHMSA-N 0 1 324.424 3.744 40 0 DHABMN CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)n1 ZINC000328971688 563832781 /nfs/dbraw/zinc/83/27/81/563832781.db2.gz DSKCKMUVBZFFAS-UHFFFAOYSA-N 0 1 308.429 3.694 40 0 DHABMN Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CC2)n1 ZINC000328994429 563832826 /nfs/dbraw/zinc/83/28/26/563832826.db2.gz JDQUNNWOYDUTCX-UHFFFAOYSA-N 0 1 308.429 3.657 40 0 DHABMN CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CC2)n1 ZINC000329058528 563834018 /nfs/dbraw/zinc/83/40/18/563834018.db2.gz WDPWPBCALHQJFI-ZDUSSCGKSA-N 0 1 308.429 3.565 40 0 DHABMN COC(=O)c1ccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)cc1 ZINC000216920315 563858832 /nfs/dbraw/zinc/85/88/32/563858832.db2.gz BBCWDCZNYVOPLY-UHFFFAOYSA-N 0 1 316.744 3.679 40 0 DHABMN CCc1c(=O)c2cc(OC(F)(F)F)ccc2[nH]c1C(F)F ZINC000685938027 563927037 /nfs/dbraw/zinc/92/70/37/563927037.db2.gz GZNKHDCVMXBGGN-UHFFFAOYSA-N 0 1 307.218 3.927 40 0 DHABMN Ic1[nH]nc2cc(-c3ccccc3)ccc12 ZINC000075629432 568413578 /nfs/dbraw/zinc/41/35/78/568413578.db2.gz CNKMVUYZPGCZDS-UHFFFAOYSA-N 0 1 320.133 3.835 40 0 DHABMN C[C@H](c1ccccn1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072203935 191076155 /nfs/dbraw/zinc/07/61/55/191076155.db2.gz AZUVUIZQXCYECR-HUUCEWRRSA-N 0 1 319.449 3.522 40 0 DHABMN Cc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)o1 ZINC000072366755 191136742 /nfs/dbraw/zinc/13/67/42/191136742.db2.gz NTYRXICVRXATBU-KRWDZBQOSA-N 0 1 308.385 3.506 40 0 DHABMN CCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004909667 181171525 /nfs/dbraw/zinc/17/15/25/181171525.db2.gz GXQUQRSZLYEQMX-AWEZNQCLSA-N 0 1 324.211 3.980 40 0 DHABMN CCOc1cc(CNc2ncc(-c3ccccc3)n2C)ccc1O ZINC000006605904 181360311 /nfs/dbraw/zinc/36/03/11/181360311.db2.gz OOQQXCLWBRDBBU-UHFFFAOYSA-N 0 1 323.396 3.804 40 0 DHABMN O=C(c1ccc(F)cc1)c1cnc2c(F)cc(F)cc2c1O ZINC000006732993 181379724 /nfs/dbraw/zinc/37/97/24/181379724.db2.gz IZFNJGAVRDLQPI-UHFFFAOYSA-N 0 1 303.239 3.589 40 0 DHABMN Cc1cncc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257299949 203025321 /nfs/dbraw/zinc/02/53/21/203025321.db2.gz RSHFJBYLFOPZSP-SFHVURJKSA-N 0 1 319.412 3.512 40 0 DHABMN O=C(c1ccccc1)c1nnc(-c2ccc(Cl)cc2)cc1O ZINC000016476897 182046651 /nfs/dbraw/zinc/04/66/51/182046651.db2.gz APCMTOMFHMLWPL-UHFFFAOYSA-N 0 1 310.740 3.734 40 0 DHABMN Cc1ccc(-c2n[nH]c(CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000040174587 183043138 /nfs/dbraw/zinc/04/31/38/183043138.db2.gz XRDSCVLIFDLYFU-UHFFFAOYSA-N 0 1 321.409 3.949 40 0 DHABMN Cc1cc2nc(-c3ccc(N)cc3)[nH]c2c(Br)c1 ZINC000062152880 184209514 /nfs/dbraw/zinc/20/95/14/184209514.db2.gz XKFYJOXPCSOHDY-UHFFFAOYSA-N 0 1 302.175 3.883 40 0 DHABMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC(C)C)c1 ZINC000113969975 194624635 /nfs/dbraw/zinc/62/46/35/194624635.db2.gz DBMNRIHJFINOQJ-UHFFFAOYSA-N 0 1 319.426 3.891 40 0 DHABMN CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 ZINC000072209137 257127802 /nfs/dbraw/zinc/12/78/02/257127802.db2.gz ZGUXBGQEUVEYCY-ZDUSSCGKSA-N 0 1 321.808 3.993 40 0 DHABMN COc1ccc(C(=O)Sc2nc3ccc(C)cc3[nH]2)c(O)c1 ZINC000408619871 257229288 /nfs/dbraw/zinc/22/92/88/257229288.db2.gz IEDUHGRUYGUEFL-UHFFFAOYSA-N 0 1 314.366 3.518 40 0 DHABMN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000247993195 341372032 /nfs/dbraw/zinc/37/20/32/341372032.db2.gz BMQMLQFXJOOBME-WBMJQRKESA-N 0 1 319.836 3.553 40 0 DHABMN CN1CCC(=C2c3ccsc3C[C@H](O)c3ccccc32)CC1 ZINC000001859126 563296813 /nfs/dbraw/zinc/29/68/13/563296813.db2.gz ZSHTUWQHLKCHLO-KRWDZBQOSA-N 0 1 311.450 3.865 40 0 DHABMN CC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc(F)cc1 ZINC000012147321 563363076 /nfs/dbraw/zinc/36/30/76/563363076.db2.gz CCCJMUMHXVPJGK-HNNXBMFYSA-N 0 1 315.392 3.699 40 0 DHABMN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccnc2ccccc12 ZINC000012143990 563363317 /nfs/dbraw/zinc/36/33/17/563363317.db2.gz JFJSCFXWVWMKMH-QRWLVFNGSA-N 0 1 316.408 3.595 40 0 DHABMN CC1(C)CC[C@H]2C[N@@H+](Cc3cccc(C(=O)[O-])c3)CC[C@@]2(C)O1 ZINC000585286399 563542617 /nfs/dbraw/zinc/54/26/17/563542617.db2.gz QOWSLDWDPWSSSE-QFBILLFUSA-N 0 1 317.429 3.554 40 0 DHABMN CC1(C)CCN(C(=O)c2cnc(-c3ccc(Cl)cc3)[nH]2)CC1 ZINC000644149392 563620271 /nfs/dbraw/zinc/62/02/71/563620271.db2.gz JEWUKEPZVDCXON-UHFFFAOYSA-N 0 1 317.820 3.992 40 0 DHABMN Brc1cncc(-c2cc(-c3ccccc3)[nH]n2)c1 ZINC000095094770 563652216 /nfs/dbraw/zinc/65/22/16/563652216.db2.gz DSZFCXZHJPCLRE-UHFFFAOYSA-N 0 1 300.159 3.901 40 0 DHABMN Nc1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1 ZINC000013119431 563657350 /nfs/dbraw/zinc/65/73/50/563657350.db2.gz WPMYFTCNGLGMAF-UHFFFAOYSA-N 0 1 305.385 3.587 40 0 DHABMN Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000257224621 563790762 /nfs/dbraw/zinc/79/07/62/563790762.db2.gz FCPAKRRUOKFJPD-SFHVURJKSA-N 0 1 319.412 3.512 40 0 DHABMN Cc1c[nH]c(-c2cncc([C@@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000257224621 563790766 /nfs/dbraw/zinc/79/07/66/563790766.db2.gz FCPAKRRUOKFJPD-SFHVURJKSA-N 0 1 319.412 3.512 40 0 DHABMN CNc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)n1 ZINC000328966956 563832674 /nfs/dbraw/zinc/83/26/74/563832674.db2.gz CPNYWKYUIURXFG-UHFFFAOYSA-N 0 1 310.445 3.983 40 0 DHABMN NC(=O)c1cc2nc(-c3ccccc3Cl)[nH]c2c(Cl)c1 ZINC000216921146 563858534 /nfs/dbraw/zinc/85/85/34/563858534.db2.gz JHEVUARFOUVWCM-UHFFFAOYSA-N 0 1 306.152 3.636 40 0 DHABMN COc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 ZINC000010475527 563868808 /nfs/dbraw/zinc/86/88/08/563868808.db2.gz RUHUSSAIYWKEJN-UHFFFAOYSA-N 0 1 315.373 3.912 40 0 DHABMN N[C@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533955 563931803 /nfs/dbraw/zinc/93/18/03/563931803.db2.gz OYMTUGCDOCVIQE-ZDUSSCGKSA-N 0 1 319.195 3.827 40 0 DHABMN CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC(C)C)n1 ZINC000329041277 563960344 /nfs/dbraw/zinc/96/03/44/563960344.db2.gz SHMQQQDRRJXGCV-UHFFFAOYSA-N 0 1 324.472 4.157 40 0 DHABMN CC[C@@H](C)Nc1nc(C)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329066350 563960389 /nfs/dbraw/zinc/96/03/89/563960389.db2.gz YAIDKHSLODENCW-CQSZACIVSA-N 0 1 324.472 4.293 40 0 DHABMN CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CCCN2C)ccn1 ZINC000072369299 191139265 /nfs/dbraw/zinc/13/92/65/191139265.db2.gz MJRRCOUMNBXSSV-IBGZPJMESA-N 0 1 323.440 3.511 40 0 DHABMN Cc1ccnc([C@@]2(C)CCCN2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388528 191146028 /nfs/dbraw/zinc/14/60/28/191146028.db2.gz YLVCMDUYPFMMHV-LJQANCHMSA-N 0 1 306.413 3.778 40 0 DHABMN C[C@@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000003564626 181035366 /nfs/dbraw/zinc/03/53/66/181035366.db2.gz FXLKDKLLSAGXGV-QGZVFWFLSA-N 0 1 322.452 3.624 40 0 DHABMN Cc1cc2cncn2c([C@H]2CCCCN2C(=O)CC(C)(C)C)n1 ZINC000257336235 203057303 /nfs/dbraw/zinc/05/73/03/203057303.db2.gz YNPWXWVICMZIBR-OAHLLOKOSA-N 0 1 314.433 3.528 40 0 DHABMN FC(F)(F)Oc1cc2nc(Cl)[nH]c2c(Br)c1 ZINC000258839561 203070803 /nfs/dbraw/zinc/07/08/03/203070803.db2.gz VVCBOESPZYLLRB-UHFFFAOYSA-N 0 1 315.476 3.877 40 0 DHABMN CCn1cc(CN2CCCCC[C@H]2c2cc(C)no2)c(C)n1 ZINC000019524543 182128686 /nfs/dbraw/zinc/12/86/86/182128686.db2.gz CIYNPUNMHSDXSO-INIZCTEOSA-N 0 1 302.422 3.625 40 0 DHABMN Fc1ccc(NCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000040174553 183043785 /nfs/dbraw/zinc/04/37/85/183043785.db2.gz NVLDZGMNTGVYNQ-UHFFFAOYSA-N 0 1 302.740 3.876 40 0 DHABMN Fc1ccc(NCc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000040174553 183043787 /nfs/dbraw/zinc/04/37/87/183043787.db2.gz NVLDZGMNTGVYNQ-UHFFFAOYSA-N 0 1 302.740 3.876 40 0 DHABMN CC(C)(C)c1n[nH]c(CCNc2cccc(Br)c2)n1 ZINC000062719158 184250786 /nfs/dbraw/zinc/25/07/86/184250786.db2.gz JAWWTEZQZITOLD-UHFFFAOYSA-N 0 1 323.238 3.519 40 0 DHABMN CC(C)(C)c1nc(CCNc2cccc(Br)c2)n[nH]1 ZINC000062719158 184250788 /nfs/dbraw/zinc/25/07/88/184250788.db2.gz JAWWTEZQZITOLD-UHFFFAOYSA-N 0 1 323.238 3.519 40 0 DHABMN Nc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000064874552 257129081 /nfs/dbraw/zinc/12/90/81/257129081.db2.gz HMLOVDJKTVXFNL-UHFFFAOYSA-N 0 1 304.275 3.740 40 0 DHABMN Nc1ccc(-c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000064874552 257129083 /nfs/dbraw/zinc/12/90/83/257129083.db2.gz HMLOVDJKTVXFNL-UHFFFAOYSA-N 0 1 304.275 3.740 40 0 DHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000408700290 257228642 /nfs/dbraw/zinc/22/86/42/257228642.db2.gz CROZZCOYZWAMPV-UHFFFAOYSA-N 0 1 319.426 3.928 40 0 DHABMN O=C(CNCc1cccnc1)N(c1ccccc1)c1ccccc1 ZINC000035313598 563332070 /nfs/dbraw/zinc/33/20/70/563332070.db2.gz KVLSTUHPXYGLJN-UHFFFAOYSA-N 0 1 317.392 3.536 40 0 DHABMN Cc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1 ZINC000055590399 563476598 /nfs/dbraw/zinc/47/65/98/563476598.db2.gz ZQLWKZNZLCOPBB-UHFFFAOYSA-N 0 1 305.399 3.583 40 0 DHABMN CC[C@@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524935 563485889 /nfs/dbraw/zinc/48/58/89/563485889.db2.gz JNBSFQJXABHEKT-ZWKOTPCHSA-N 0 1 317.454 3.567 40 0 DHABMN Cc1cccc(CN2CCC[C@@]3(CCN(c4ccccc4)C3)C2)n1 ZINC000096216160 563535354 /nfs/dbraw/zinc/53/53/54/563535354.db2.gz VNIQHNWPWJGHLI-OAQYLSRUSA-N 0 1 321.468 3.883 40 0 DHABMN CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000585260976 563536273 /nfs/dbraw/zinc/53/62/73/563536273.db2.gz LCNMSMCCGZBYCX-CYBMUJFWSA-N 0 1 316.474 3.608 40 0 DHABMN COc1cc(-c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1O ZINC000085384098 563569238 /nfs/dbraw/zinc/56/92/38/563569238.db2.gz VEALMICYYCPLEX-UHFFFAOYSA-N 0 1 301.733 3.506 40 0 DHABMN COc1cc(-c2nc(-c3cccc(Cl)c3)n[nH]2)ccc1O ZINC000085384098 563569241 /nfs/dbraw/zinc/56/92/41/563569241.db2.gz VEALMICYYCPLEX-UHFFFAOYSA-N 0 1 301.733 3.506 40 0 DHABMN COc1ccc(CN[C@@H](C)c2ccccc2)c(OC)c1OC ZINC000008534258 563643390 /nfs/dbraw/zinc/64/33/90/563643390.db2.gz SJXKXZOMERWMTI-ZDUSSCGKSA-N 0 1 301.386 3.563 40 0 DHABMN CC1=NN(c2nc3ccccc3o2)C(=O)C1Cc1ccc(C)cc1 ZINC000014607869 563671865 /nfs/dbraw/zinc/67/18/65/563671865.db2.gz JPAIYYMZXNWQIZ-UHFFFAOYSA-N 0 1 319.364 3.927 40 0 DHABMN Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000257229789 563790363 /nfs/dbraw/zinc/79/03/63/563790363.db2.gz FZMFVWAWOAYUEK-CQSZACIVSA-N 0 1 323.396 3.793 40 0 DHABMN CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)n1 ZINC000328977676 563832642 /nfs/dbraw/zinc/83/26/42/563832642.db2.gz FUOWMSMQSKPSKL-UHFFFAOYSA-N 0 1 316.836 3.858 40 0 DHABMN CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(C2CC2)n1 ZINC000329024894 563959667 /nfs/dbraw/zinc/95/96/67/563959667.db2.gz PDCHOGSQAHIVAY-UHFFFAOYSA-N 0 1 314.408 4.316 40 0 DHABMN C[C@@H](c1ccccn1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245204432 1024641743 /nfs/dbraw/zinc/64/17/43/1024641743.db2.gz AZUVUIZQXCYECR-GJZGRUSLSA-N 0 1 319.449 3.522 40 0 DHABMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000095642739 185383060 /nfs/dbraw/zinc/38/30/60/185383060.db2.gz XFKIFDHXCLAUQA-QGZVFWFLSA-N 0 1 318.461 3.764 40 0 DHABMN C[C@H]1CN(Cc2c3cccnc3[nH]c2C2CCCC2)C[C@H](C)O1 ZINC000072393347 191149823 /nfs/dbraw/zinc/14/98/23/191149823.db2.gz LCESVPMCNCNJJM-KBPBESRZSA-N 0 1 313.445 3.830 40 0 DHABMN CC1(C)Cc2c3c(N)[nH]nc3nc(-c3ccccc3)c2CS1 ZINC000004730651 181143884 /nfs/dbraw/zinc/14/38/84/181143884.db2.gz WYRDYQOIAHURCN-UHFFFAOYSA-N 0 1 310.426 3.775 40 0 DHABMN Cc1cc[nH+]c(NCc2ccc(-c3ccccc3C(=O)[O-])cn2)c1 ZINC000257330770 203053902 /nfs/dbraw/zinc/05/39/02/203053902.db2.gz XPXFJNVUTXGSAD-UHFFFAOYSA-N 0 1 319.364 3.762 40 0 DHABMN CCNc1cc([C@H]2CCCN2Cc2ccc(C)cc2)nc(C)n1 ZINC000257323052 203048404 /nfs/dbraw/zinc/04/84/04/203048404.db2.gz WIOOWTLQRMPCDM-GOSISDBHSA-N 0 1 310.445 3.862 40 0 DHABMN Cc1ccc2cc(CNCc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000012706409 181789510 /nfs/dbraw/zinc/78/95/10/181789510.db2.gz YAFGJHIZBBJLTA-UHFFFAOYSA-N 0 1 310.372 3.574 40 0 DHABMN CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 ZINC000072209130 257127958 /nfs/dbraw/zinc/12/79/58/257127958.db2.gz QHWMBKNRXCSAAF-ZDUSSCGKSA-N 0 1 321.808 3.992 40 0 DHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000408701218 257228758 /nfs/dbraw/zinc/22/87/58/257228758.db2.gz ULTPFFHPSMKTFC-UHFFFAOYSA-N 0 1 323.389 3.759 40 0 DHABMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000100357964 257232241 /nfs/dbraw/zinc/23/22/41/257232241.db2.gz USODXQCOJVBWAY-IRXDYDNUSA-N 0 1 315.800 3.640 40 0 DHABMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCC ZINC000006870230 563334701 /nfs/dbraw/zinc/33/47/01/563334701.db2.gz LIQRCJGNAZYYAQ-UHFFFAOYSA-N 0 1 320.820 3.822 40 0 DHABMN Cc1cc(C)c(C(=O)N2Cc3ccccc3NC2=S)c(C)c1 ZINC000000031290 563499111 /nfs/dbraw/zinc/49/91/11/563499111.db2.gz LFCLKSFRSUJUAE-UHFFFAOYSA-N 0 1 310.422 3.965 40 0 DHABMN CO[C@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110521 563533373 /nfs/dbraw/zinc/53/33/73/563533373.db2.gz RKZLCRJSTNEONC-IRXDYDNUSA-N 0 1 316.470 3.531 40 0 DHABMN O=C1CC2(CCN(Cc3ccccc3)CC2)c2c1cccc2F ZINC000096261788 563536507 /nfs/dbraw/zinc/53/65/07/563536507.db2.gz ZSNHINMTDGYSPV-UHFFFAOYSA-N 0 1 309.384 3.946 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1OCC ZINC000085385175 563568955 /nfs/dbraw/zinc/56/89/55/563568955.db2.gz FZEXVYMOVKBVGH-UHFFFAOYSA-N 0 1 315.398 3.998 40 0 DHABMN CCOc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1OCC ZINC000085385236 563569005 /nfs/dbraw/zinc/56/90/05/563569005.db2.gz MSXJRKLQAKSMMR-UHFFFAOYSA-N 0 1 309.369 3.936 40 0 DHABMN CCOc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1OCC ZINC000085385236 563569007 /nfs/dbraw/zinc/56/90/07/563569007.db2.gz MSXJRKLQAKSMMR-UHFFFAOYSA-N 0 1 309.369 3.936 40 0 DHABMN COC(=O)c1cc2[nH]c(-c3ccc(F)cc3)nc2c(Cl)c1 ZINC000216922437 563712208 /nfs/dbraw/zinc/71/22/08/563712208.db2.gz QNJPJGCEZNFHSA-UHFFFAOYSA-N 0 1 304.708 3.809 40 0 DHABMN Fc1cccc(Cc2cnc([C@@H]3CCCN3CC3CC3)o2)c1 ZINC000257245782 563791744 /nfs/dbraw/zinc/79/17/44/563791744.db2.gz IRBCWEXNCKEBHV-KRWDZBQOSA-N 0 1 300.377 3.951 40 0 DHABMN CC(C)(C)Nc1nc(NCc2ccccc2F)cc(C2CC2)n1 ZINC000328977700 563832689 /nfs/dbraw/zinc/83/26/89/563832689.db2.gz FUYYIMUZODBCHW-UHFFFAOYSA-N 0 1 314.408 4.316 40 0 DHABMN Cc1ccc(F)cc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067801035 563868675 /nfs/dbraw/zinc/86/86/75/563868675.db2.gz FXPOAKGEWABWHL-UHFFFAOYSA-N 0 1 322.424 3.623 40 0 DHABMN CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CC2)n1 ZINC000328985784 563959916 /nfs/dbraw/zinc/95/99/16/563959916.db2.gz HVGYQVGKIIAEGQ-AWEZNQCLSA-N 0 1 322.456 4.126 40 0 DHABMN