smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ncc(CN2CCC(CCc3ccccc3OC)CC2)cn1 ZINC000019523341 202010447 /nfs/dbraw/zinc/01/04/47/202010447.db2.gz BTDBPZPAIBGUNO-UHFFFAOYSA-N 0 1 339.483 3.892 40 0 EHABMN Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)c2ccccc2)c1C ZINC000019558059 202011759 /nfs/dbraw/zinc/01/17/59/202011759.db2.gz XVGXWPSMBBSPGH-MRXNPFEDSA-N 0 1 336.395 3.659 40 0 EHABMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2ccnn2C)C1 ZINC000019658624 202014517 /nfs/dbraw/zinc/01/45/17/202014517.db2.gz HZIVQDPCUSCFAI-MRXNPFEDSA-N 0 1 337.471 3.730 40 0 EHABMN CCN1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000020192570 202034740 /nfs/dbraw/zinc/03/47/40/202034740.db2.gz SVZFZLJWUPBJMM-NRFANRHFSA-N 0 1 334.467 3.598 40 0 EHABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000257201023 244118833 /nfs/dbraw/zinc/11/88/33/244118833.db2.gz AFVTYFBGWYUMRJ-HNNXBMFYSA-N 0 1 337.423 3.868 40 0 EHABMN Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccn[nH]3)n2)cc1 ZINC000072358057 203204614 /nfs/dbraw/zinc/20/46/14/203204614.db2.gz GILJHAGGUPRBCF-HXUWFJFHSA-N 0 1 346.434 3.681 40 0 EHABMN Cc1nc([C@H]2CCCCN2)nc2c1CCCN2CCc1ccccc1 ZINC000257241170 244244012 /nfs/dbraw/zinc/24/40/12/244244012.db2.gz HWXAYCNYZUWFGU-LJQANCHMSA-N 0 1 336.483 3.595 40 0 EHABMN Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072367167 203207912 /nfs/dbraw/zinc/20/79/12/203207912.db2.gz VYTWZRMBBFKFQQ-LJQANCHMSA-N 0 1 342.414 3.883 40 0 EHABMN COc1cccc([C@@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000095533577 257701597 /nfs/dbraw/zinc/70/15/97/257701597.db2.gz YGFLICKEHKPPPO-CQSZACIVSA-N 0 1 348.328 3.547 40 0 EHABMN O=S(=O)(Nc1ccccc1O)c1ccc(-c2ccccc2)cc1 ZINC000000470375 563330836 /nfs/dbraw/zinc/33/08/36/563330836.db2.gz GCDLVAXAHXXYOU-UHFFFAOYSA-N 0 1 325.389 3.860 40 0 EHABMN COc1ccc(C(=O)Sc2nc3ccc(C)cc3[nH]2)c(OC)c1 ZINC000408622161 563501737 /nfs/dbraw/zinc/50/17/37/563501737.db2.gz OKWLIMYAQLDXCL-UHFFFAOYSA-N 0 1 328.393 3.821 40 0 EHABMN Cc1ccc(C2(O)CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000012330710 563658113 /nfs/dbraw/zinc/65/81/13/563658113.db2.gz UZNMYEMVIUXEBS-UHFFFAOYSA-N 0 1 347.462 3.664 40 0 EHABMN C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[n-]2)C1 ZINC000013225689 563692713 /nfs/dbraw/zinc/69/27/13/563692713.db2.gz RSHRMMYCZMFBAS-KAPURRDVSA-N 0 1 348.450 3.636 40 0 EHABMN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832667 563922216 /nfs/dbraw/zinc/92/22/16/563922216.db2.gz YIQAZUHJAZIJNG-CQSZACIVSA-N 0 1 341.282 3.828 40 0 EHABMN Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)s1 ZINC000096201204 563980139 /nfs/dbraw/zinc/98/01/39/563980139.db2.gz MKPIFTFJYJGPKM-HNNXBMFYSA-N 0 1 332.517 3.670 40 0 EHABMN CCc1cccc(CC)c1NS(=O)(=O)c1cc(OC)ccc1OC ZINC000006362060 564014681 /nfs/dbraw/zinc/01/46/81/564014681.db2.gz NFADUZUQWYFFDG-UHFFFAOYSA-N 0 1 349.452 3.629 40 0 EHABMN Clc1ccc(C[C@@H]2CC3(CO2)CCN(Cc2ncc[nH]2)CC3)cc1 ZINC000257333393 564055587 /nfs/dbraw/zinc/05/55/87/564055587.db2.gz YBIQJXBWFMLJSG-QGZVFWFLSA-N 0 1 345.874 3.677 40 0 EHABMN CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](C)CC)n1 ZINC000329047240 564071864 /nfs/dbraw/zinc/07/18/64/564071864.db2.gz UFRDPROLGLNJRP-HNNXBMFYSA-N 0 1 338.499 3.969 40 0 EHABMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000565101998 601415419 /nfs/dbraw/zinc/41/54/19/601415419.db2.gz AUYODFKPCATEDT-CYBMUJFWSA-N 0 1 348.468 3.993 40 0 EHABMN Fc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668377 201860737 /nfs/dbraw/zinc/86/07/37/201860737.db2.gz RCUMALGWMUAHRX-UHFFFAOYSA-N 0 1 338.386 3.650 40 0 EHABMN CN1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840548 241212646 /nfs/dbraw/zinc/21/26/46/241212646.db2.gz NTZCCRQYHXZTDZ-UHFFFAOYSA-N 0 1 341.842 3.896 40 0 EHABMN COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1N ZINC000216918247 241221995 /nfs/dbraw/zinc/22/19/95/241221995.db2.gz HZIXTWPFNVBPJE-UHFFFAOYSA-N 0 1 332.201 3.892 40 0 EHABMN Cc1nc(CN2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cs1 ZINC000257223660 244192220 /nfs/dbraw/zinc/19/22/20/244192220.db2.gz DYJAYKDPGIJVIU-DZFIZOCASA-N 0 1 328.481 3.879 40 0 EHABMN Cc1ccccc1-c1cncc(C2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000072359723 203205428 /nfs/dbraw/zinc/20/54/28/203205428.db2.gz NPRPKGQSWMIFSI-UHFFFAOYSA-N 0 1 347.466 3.565 40 0 EHABMN Cc1ccccc1C[N@H+]1CCC[C@H](c2cccc(CCC(=O)[O-])n2)C1 ZINC000072367125 203207993 /nfs/dbraw/zinc/20/79/93/203207993.db2.gz MLOHMIFAUABPJH-SFHVURJKSA-N 0 1 338.451 3.787 40 0 EHABMN Cc1nnc(SCc2cc(=O)n(-c3ccc(C)c(C)c3)[nH]2)s1 ZINC000009937163 563645253 /nfs/dbraw/zinc/64/52/53/563645253.db2.gz GLXUXSSIEASJLL-UHFFFAOYSA-N 0 1 332.454 3.647 40 0 EHABMN Cc1[nH]c2c(cccc2C(=O)NCCCN2Cc3ccccc3C2)c1C ZINC000012193347 563655903 /nfs/dbraw/zinc/65/59/03/563655903.db2.gz VARFFHUFWLHFEQ-UHFFFAOYSA-N 0 1 347.462 3.920 40 0 EHABMN COc1ccc2nc(SC[C@H]3COc4ccccc4O3)[nH]c2c1 ZINC000016227784 563806341 /nfs/dbraw/zinc/80/63/41/563806341.db2.gz HHEDWBPEWTWVDJ-GFCCVEGCSA-N 0 1 328.393 3.504 40 0 EHABMN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832666 563922224 /nfs/dbraw/zinc/92/22/24/563922224.db2.gz YIQAZUHJAZIJNG-AWEZNQCLSA-N 0 1 341.282 3.828 40 0 EHABMN COc1cc(C)ccc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000054363353 563932918 /nfs/dbraw/zinc/93/29/18/563932918.db2.gz DQUZGZDCRCRSPN-UHFFFAOYSA-N 0 1 325.817 3.766 40 0 EHABMN Cc1ccccc1O[C@@H]1CCC[C@H](NCc2cccc(F)c2F)[C@H]1O ZINC000585290543 563982023 /nfs/dbraw/zinc/98/20/23/563982023.db2.gz XWSTXBKYRLUZIE-ILZDJORESA-N 0 1 347.405 3.724 40 0 EHABMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)c1ccc(Cl)cc1 ZINC000006557549 564006521 /nfs/dbraw/zinc/00/65/21/564006521.db2.gz UWIFMSDBAQOHJA-UHFFFAOYSA-N 0 1 345.811 3.806 40 0 EHABMN CCOc1cc(C=O)ccc1OCCCN1CCc2ccccc2C1 ZINC000008731584 564016426 /nfs/dbraw/zinc/01/64/26/564016426.db2.gz RYLNKKJXPGEZQW-UHFFFAOYSA-N 0 1 339.435 3.725 40 0 EHABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2c2ccncn2)o1 ZINC000257297767 564054958 /nfs/dbraw/zinc/05/49/58/564054958.db2.gz RISPHYKQGFYRKK-GOSISDBHSA-N 0 1 349.390 3.772 40 0 EHABMN O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)[n-]1 ZINC000247955863 564124527 /nfs/dbraw/zinc/12/45/27/564124527.db2.gz NIUJZZGJGGKOQR-CRAIPNDOSA-N 0 1 336.439 3.737 40 0 EHABMN O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)[n-]1 ZINC000247955863 564124528 /nfs/dbraw/zinc/12/45/28/564124528.db2.gz NIUJZZGJGGKOQR-CRAIPNDOSA-N 0 1 336.439 3.737 40 0 EHABMN Cc1cc(C)c(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)c1 ZINC000033659908 564128335 /nfs/dbraw/zinc/12/83/35/564128335.db2.gz HMNFRPIBUMNWJB-CXUHLZMHSA-N 0 1 338.363 3.707 40 0 EHABMN N[C@@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533312 564141589 /nfs/dbraw/zinc/14/15/89/564141589.db2.gz JASJOBQMUAJMCM-CYBMUJFWSA-N 0 1 336.292 3.678 40 0 EHABMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000022234033 202081649 /nfs/dbraw/zinc/08/16/49/202081649.db2.gz LFRPSILAMWLDHC-NSHDSACASA-N 0 1 326.783 3.673 40 0 EHABMN O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCCCC1 ZINC000039758355 202164158 /nfs/dbraw/zinc/16/41/58/202164158.db2.gz PLTWOVACFDLMIJ-UHFFFAOYSA-N 0 1 334.891 3.955 40 0 EHABMN CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2-c2ccc(C(=O)[O-])cc2)C1 ZINC000257219082 244179050 /nfs/dbraw/zinc/17/90/50/244179050.db2.gz DFNALRHIHWECSZ-HNNXBMFYSA-N 0 1 339.439 3.505 40 0 EHABMN Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000072367163 203207656 /nfs/dbraw/zinc/20/76/56/203207656.db2.gz FBBIKBIQADZOON-LJQANCHMSA-N 0 1 342.414 3.883 40 0 EHABMN CCCCc1ncc(CN2Cc3nccn3C[C@@H]2c2ccccc2)[nH]1 ZINC000257265841 244361470 /nfs/dbraw/zinc/36/14/70/244361470.db2.gz MAOYPGUSBMKTSB-GOSISDBHSA-N 0 1 335.455 3.706 40 0 EHABMN COc1ccc(C(=O)N2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000049168693 204369970 /nfs/dbraw/zinc/36/99/70/204369970.db2.gz UEJADNIGXDDRQM-HNNXBMFYSA-N 0 1 335.407 3.510 40 0 biogenic,in-vitro EHABMN Cc1ccnc(-n2cccc2CNc2[nH]nc3nc(C)cc(C)c32)c1 ZINC000012115904 563653903 /nfs/dbraw/zinc/65/39/03/563653903.db2.gz JRPNZRCJQYRSBM-UHFFFAOYSA-N 0 1 332.411 3.681 40 0 EHABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000007361047 564015518 /nfs/dbraw/zinc/01/55/18/564015518.db2.gz PDRLBQCUFOPQTQ-UHFFFAOYSA-N 0 1 335.425 3.628 40 0 EHABMN COC(=O)c1cccc(Nc2ccnc3cc(OC)c(OC)cc32)c1 ZINC000062718718 564019055 /nfs/dbraw/zinc/01/90/55/564019055.db2.gz GUTJRCNFYDTZDF-UHFFFAOYSA-N 0 1 338.363 3.782 40 0 EHABMN CC(C)[N@H+]1CCC[C@H](Cc2ccc(-c3cncc(C(=O)[O-])c3)nc2)C1 ZINC000257321747 564055433 /nfs/dbraw/zinc/05/54/33/564055433.db2.gz WDBGVATYRQYEKY-MRXNPFEDSA-N 0 1 339.439 3.505 40 0 EHABMN CC(=O)c1c(O)cc(C)n(-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000016769672 564113145 /nfs/dbraw/zinc/11/31/45/564113145.db2.gz IDJYHKMWXDZCNU-UHFFFAOYSA-N 0 1 335.359 3.846 40 0 EHABMN O=C(c1ccc(Cl)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000238885285 564120127 /nfs/dbraw/zinc/12/01/27/564120127.db2.gz PXHIMDXBEURRME-LJQANCHMSA-N 0 1 340.854 3.613 40 0 EHABMN Cc1cnc([C@H](C)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876623 1137924061 /nfs/dbraw/zinc/92/40/61/1137924061.db2.gz UQUGFIKIAXMFML-QWRGUYRKSA-N 0 1 328.338 3.666 40 0 EHABMN O=C(c1n[nH]c2c1COc1ccccc1-2)N1CC[C@H](c2ccccc2)C1 ZINC000019656611 202015371 /nfs/dbraw/zinc/01/53/71/202015371.db2.gz AWOSJNOEEKBZKB-HNNXBMFYSA-N 0 1 345.402 3.599 40 0 EHABMN COc1cc2nc(-c3ccc(N)c(C)c3)[nH]c2c(Br)c1 ZINC000216917613 241224030 /nfs/dbraw/zinc/22/40/30/241224030.db2.gz YVTYXUAPKVLLTK-UHFFFAOYSA-N 0 1 332.201 3.892 40 0 EHABMN Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1 ZINC000072349771 203203906 /nfs/dbraw/zinc/20/39/06/203203906.db2.gz CHUNIKFMKSAHGW-QGZVFWFLSA-N 0 1 346.434 3.800 40 0 EHABMN CN(C)Cc1cccc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 ZINC000257260512 536040345 /nfs/dbraw/zinc/04/03/45/536040345.db2.gz LDEVUFYZTDTIFH-LJQANCHMSA-N 0 1 329.488 3.777 40 0 EHABMN O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000408713207 563602903 /nfs/dbraw/zinc/60/29/03/563602903.db2.gz NYUKUTJVPLBAPM-UHFFFAOYSA-N 0 1 333.800 3.531 40 0 EHABMN CCN(CC)Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)o1 ZINC000012117378 563653955 /nfs/dbraw/zinc/65/39/55/563653955.db2.gz GEOICMAHIABUSY-UHFFFAOYSA-N 0 1 341.455 3.536 40 0 EHABMN COc1cc(C)ccc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000054363333 563932870 /nfs/dbraw/zinc/93/28/70/563932870.db2.gz CLHIKHJCRHXRDU-UHFFFAOYSA-N 0 1 325.817 3.766 40 0 EHABMN Cc1ccc(CN2CC3(C2)C[C@H](OCc2cccnc2)CS3)cc1 ZINC000585104068 563971544 /nfs/dbraw/zinc/97/15/44/563971544.db2.gz FWMMABPWHAHUKE-IBGZPJMESA-N 0 1 340.492 3.667 40 0 EHABMN CCOc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)n2)cc1OC ZINC000085384339 563986215 /nfs/dbraw/zinc/98/62/15/563986215.db2.gz FXDGNGOEACVTTM-UHFFFAOYSA-N 0 1 325.368 3.555 40 0 EHABMN CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)[nH]2)cc1OC ZINC000085384339 563986216 /nfs/dbraw/zinc/98/62/16/563986216.db2.gz FXDGNGOEACVTTM-UHFFFAOYSA-N 0 1 325.368 3.555 40 0 EHABMN Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000072367173 563990940 /nfs/dbraw/zinc/99/09/40/563990940.db2.gz MTPOZIBBNYQCHK-LJQANCHMSA-N 0 1 342.414 3.883 40 0 EHABMN O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000408919405 564008047 /nfs/dbraw/zinc/00/80/47/564008047.db2.gz XLWJJSZNCLSRKU-LDADJPATSA-N 0 1 344.370 3.599 40 0 EHABMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223659680 564040535 /nfs/dbraw/zinc/04/05/35/564040535.db2.gz KKBYHHVHPCBQLT-UHFFFAOYSA-N 0 1 347.436 3.600 40 0 EHABMN CN(C)Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1 ZINC000257285463 564054734 /nfs/dbraw/zinc/05/47/34/564054734.db2.gz PHDVMSAGMGTOKT-VSFZPWCASA-N 0 1 335.451 3.520 40 0 EHABMN CC(C)N(Cc1ccccc1)C(=O)c1cc([C@H]2CCCN2C)ccn1 ZINC000257287911 564054840 /nfs/dbraw/zinc/05/48/40/564054840.db2.gz PRYIEYNKALZSTG-HXUWFJFHSA-N 0 1 337.467 3.899 40 0 EHABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)o1 ZINC000257310568 564055274 /nfs/dbraw/zinc/05/52/74/564055274.db2.gz UFQUKWLZWIOOIP-SFHVURJKSA-N 0 1 349.390 3.772 40 0 EHABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)o1 ZINC000257310568 564055275 /nfs/dbraw/zinc/05/52/75/564055275.db2.gz UFQUKWLZWIOOIP-SFHVURJKSA-N 0 1 349.390 3.772 40 0 EHABMN CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)ccn1 ZINC000257332838 564055576 /nfs/dbraw/zinc/05/55/76/564055576.db2.gz XYXSTYNCVDDQMN-NRFANRHFSA-N 0 1 349.478 3.609 40 0 EHABMN Cc1ccc(CNc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1 ZINC000329058981 564072016 /nfs/dbraw/zinc/07/20/16/564072016.db2.gz WELVROARMDTTGR-UHFFFAOYSA-N 0 1 336.483 3.863 40 0 EHABMN O=C(CNCc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000035313284 564081804 /nfs/dbraw/zinc/08/18/04/564081804.db2.gz SCHGQEFWKIQEBD-UHFFFAOYSA-N 0 1 341.411 3.678 40 0 EHABMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 ZINC000008254560 291000659 /nfs/dbraw/zinc/00/06/59/291000659.db2.gz REDLAXLXLHLQSW-XYJFISCASA-N 0 1 331.529 3.710 40 0 biogenic,in-vitro EHABMN Cc1ccccc1C[N@H+]1CCC[C@@H](c2cccc(CCC(=O)[O-])n2)C1 ZINC000072367126 203207250 /nfs/dbraw/zinc/20/72/50/203207250.db2.gz MLOHMIFAUABPJH-GOSISDBHSA-N 0 1 338.451 3.787 40 0 EHABMN c1cnc(Nc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)cn1 ZINC000257248463 244262284 /nfs/dbraw/zinc/26/22/84/244262284.db2.gz JDTQCXTZZQRYMS-SFHVURJKSA-N 0 1 346.438 3.737 40 0 EHABMN Nc1ncnc2[nH]c(-c3ccc(SCc4ccccc4)cc3)nc21 ZINC000004773467 563510732 /nfs/dbraw/zinc/51/07/32/563510732.db2.gz OIJJFBGNCYIEGH-UHFFFAOYSA-N 0 1 333.420 3.894 40 0 EHABMN O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012119061 563653847 /nfs/dbraw/zinc/65/38/47/563653847.db2.gz OYQVAVKSYBRXCY-HNNXBMFYSA-N 0 1 326.371 3.571 40 0 EHABMN Cc1nccc(-c2ccc(-c3noc(CN4CCC[C@@H](C)C4)n3)cc2)n1 ZINC000012337088 563658451 /nfs/dbraw/zinc/65/84/51/563658451.db2.gz OZXNVKOWPCMQHY-CQSZACIVSA-N 0 1 349.438 3.734 40 0 EHABMN O=C(c1ccco1)N1CCCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096049331 563978420 /nfs/dbraw/zinc/97/84/20/563978420.db2.gz QJQKUNNMBBBTAP-UHFFFAOYSA-N 0 1 342.414 3.690 40 0 EHABMN O=c1c2c[nH]c3cc(C(F)(F)F)ccc3c-2nn1-c1ccccc1 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40 0 EHABMN Cc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1 ZINC000012115669 211294852 /nfs/dbraw/zinc/29/48/52/211294852.db2.gz IXPGQVWWJNQKPC-UHFFFAOYSA-N 0 1 347.349 3.780 40 0 EHABMN C[C@@H](NC(=O)c1cccs1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005001896 210357691 /nfs/dbraw/zinc/35/76/91/210357691.db2.gz JYROHZXSAUIQMC-SECBINFHSA-N 0 1 332.816 3.678 40 0 EHABMN C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000005001896 210357696 /nfs/dbraw/zinc/35/76/96/210357696.db2.gz JYROHZXSAUIQMC-SECBINFHSA-N 0 1 332.816 3.678 40 0 EHABMN CCOc1cc(-c2nc(COc3cccc(F)c3)n[nH]2)ccc1OC ZINC000085384987 257701932 /nfs/dbraw/zinc/70/19/32/257701932.db2.gz NPZLQMPHPYIQOJ-UHFFFAOYSA-N 0 1 343.358 3.597 40 0 EHABMN CN(C)Cc1ccnc([C@H]2CCCN2Cc2ccc(F)cc2Cl)n1 ZINC000257290857 536052684 /nfs/dbraw/zinc/05/26/84/536052684.db2.gz QEPUYEVOFFHDNC-QGZVFWFLSA-N 0 1 348.853 3.668 40 0 EHABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1Cl ZINC000074935393 563921217 /nfs/dbraw/zinc/92/12/17/563921217.db2.gz 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Cc1cccc(O[C@@H]2CCC[C@H](NCc3cccc(F)c3F)[C@H]2O)c1 ZINC000585288535 563982064 /nfs/dbraw/zinc/98/20/64/563982064.db2.gz DAFITUOKGPDFLB-NLWGTHIKSA-N 0 1 347.405 3.724 40 0 EHABMN Cc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c1 ZINC000006556998 564006505 /nfs/dbraw/zinc/00/65/05/564006505.db2.gz TZTWHDMDPHPPEM-UHFFFAOYSA-N 0 1 338.436 3.819 40 0 EHABMN Cc1cccc(C[C@H](C(=O)Nc2ccc(C(C)C)cc2)c2nn[nH]n2)c1 ZINC000006556966 564006519 /nfs/dbraw/zinc/00/65/19/564006519.db2.gz JAXLCFQDMYYXNK-SFHVURJKSA-N 0 1 349.438 3.597 40 0 EHABMN CC(C)(C)c1nnc([C@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)o1 ZINC000049170608 564032610 /nfs/dbraw/zinc/03/26/10/564032610.db2.gz LIKKUJDYEDEMGC-INIZCTEOSA-N 0 1 336.439 3.905 40 0 biogenic,in-vitro EHABMN CN(C)c1cccc(CC[C@H]2CCCCN2Cc2cscn2)n1 ZINC000257333119 564055579 /nfs/dbraw/zinc/05/55/79/564055579.db2.gz YAFQIBSMZRGFBN-QGZVFWFLSA-N 0 1 330.501 3.591 40 0 EHABMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000009063388 564127615 /nfs/dbraw/zinc/12/76/15/564127615.db2.gz 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/nfs/dbraw/zinc/86/24/98/257862498.db2.gz TZLWJLXIXROITA-UHFFFAOYSA-N 0 1 329.831 3.586 40 0 EHABMN CCn1cncc1CN(CCCn1ccnc1)Cc1ccc(C)s1 ZINC000043277893 563925631 /nfs/dbraw/zinc/92/56/31/563925631.db2.gz XKCPDWFSOSTELA-UHFFFAOYSA-N 0 1 343.500 3.562 40 0 EHABMN COc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000009063463 564016622 /nfs/dbraw/zinc/01/66/22/564016622.db2.gz IOBLTIGDUMYKGQ-UHFFFAOYSA-N 0 1 342.414 3.685 40 0 EHABMN Cc1cc(C)cc(NC(=S)N2CCN(C3CCSCC3)CC2)c1 ZINC000225215637 564045454 /nfs/dbraw/zinc/04/54/54/564045454.db2.gz VLUYFEDNNQHFFC-UHFFFAOYSA-N 0 1 349.569 3.513 40 0 EHABMN Cc1nc(COCC[C@H]2CN(C3CCCC3)Cc3ccnn32)cs1 ZINC000248034275 564052933 /nfs/dbraw/zinc/05/29/33/564052933.db2.gz MXLTXBXUZHJFPC-SFHVURJKSA-N 0 1 346.500 3.554 40 0 EHABMN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674908 564070536 /nfs/dbraw/zinc/07/05/36/564070536.db2.gz CQDGOWMPOOFBMD-SJORKVTESA-N 0 1 345.418 3.564 40 0 biogenic,in-vitro EHABMN CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](C)CC)n1 ZINC000329047243 564071934 /nfs/dbraw/zinc/07/19/34/564071934.db2.gz UFRDPROLGLNJRP-OAHLLOKOSA-N 0 1 338.499 3.969 40 0 EHABMN Cc1ccsc1CN1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000253599265 244032012 /nfs/dbraw/zinc/03/20/12/244032012.db2.gz NCVANPLLFSUNST-MRXNPFEDSA-N 0 1 346.521 3.728 40 0 EHABMN Cc1nc(C2(C)CCN(Cc3cccnc3)CC2)c2sccn12 ZINC000257258470 244291172 /nfs/dbraw/zinc/29/11/72/244291172.db2.gz KUBDAFMLCRKNKT-UHFFFAOYSA-N 0 1 326.469 3.653 40 0 EHABMN Cn1nccc1CN1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000019690539 212055390 /nfs/dbraw/zinc/05/53/90/212055390.db2.gz HDRRMSJHJRCEQE-UHFFFAOYSA-N 0 1 346.478 3.786 40 0 EHABMN COc1ccccc1NS(=O)(=O)c1ccc(C)c2ccccc21 ZINC000012291122 211334008 /nfs/dbraw/zinc/33/40/08/211334008.db2.gz DKLIMHIZRKMNJW-UHFFFAOYSA-N 0 1 327.405 3.958 40 0 EHABMN O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccccc2F)CC1 ZINC000039772153 257854620 /nfs/dbraw/zinc/85/46/20/257854620.db2.gz VRRIQOKEDIFOPH-UHFFFAOYSA-N 0 1 348.368 3.955 40 0 EHABMN CN1CCC(SC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000005599831 563542145 /nfs/dbraw/zinc/54/21/45/563542145.db2.gz DPJQXPARYDNCFD-FQEVSTJZSA-N 0 1 347.524 3.809 40 0 EHABMN COc1ccc(C[C@H]2CN(Cc3nc(C)cs3)CC[C@H]2OC)cc1 ZINC000096110264 563979300 /nfs/dbraw/zinc/97/93/00/563979300.db2.gz JFQZITPXYUVWRP-FUHWJXTLSA-N 0 1 346.496 3.540 40 0 EHABMN Cc1cccc(C)c1NC(=O)c1ccc(CSc2cn[nH]n2)cc1 ZINC000032117654 564035958 /nfs/dbraw/zinc/03/59/58/564035958.db2.gz LLXRAFLBYUDNLT-UHFFFAOYSA-N 0 1 338.436 3.966 40 0 EHABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(C)cc1C)CCCC2 ZINC000223191625 564039174 /nfs/dbraw/zinc/03/91/74/564039174.db2.gz VLZPTKJXUCVTBC-UHFFFAOYSA-N 0 1 345.464 3.992 40 0 EHABMN CCOCCCNC(=O)c1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000225263700 564045555 /nfs/dbraw/zinc/04/55/55/564045555.db2.gz XFGRJSZXSHYSAX-UHFFFAOYSA-N 0 1 337.423 3.695 40 0 EHABMN Cc1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)s1 ZINC000248119192 564052989 /nfs/dbraw/zinc/05/29/89/564052989.db2.gz 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