smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCCOCc1ccccc1 ZINC000383617758 971881317 /nfs/dbraw/zinc/88/13/17/971881317.db2.gz QCJZRIRJKMVIEN-CQSZACIVSA-N 0 1 317.385 3.578 10 0 DHAEMN C[N@@H+](Cc1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000388399743 972168850 /nfs/dbraw/zinc/16/88/50/972168850.db2.gz XRCFWSPZARKXGH-UHFFFAOYSA-N 0 1 302.201 3.823 10 0 DHAEMN O=C([O-])CCCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000262298272 961629421 /nfs/dbraw/zinc/62/94/21/961629421.db2.gz ZBBMSLADICTYIU-HXUWFJFHSA-N 0 1 309.409 3.889 10 0 DHAEMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000262953834 962038111 /nfs/dbraw/zinc/03/81/11/962038111.db2.gz BCBPCDOZGKPGAN-LJQANCHMSA-N 0 1 309.409 3.982 10 0 DHAEMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1ccc2ncccc2c1 ZINC000692463259 976494536 /nfs/dbraw/zinc/49/45/36/976494536.db2.gz ZWFVCGQOMNPCDA-UHFFFAOYSA-N 0 1 320.392 3.712 10 0 DHAEMN Oc1ccc(-c2nc(COc3ccc4ccccc4c3)n[nH]2)cc1 ZINC000006000408 181305085 /nfs/dbraw/zinc/30/50/85/181305085.db2.gz OMMCDKFXDMBAMN-UHFFFAOYSA-N 0 1 317.348 3.910 10 0 DHAEMN C[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000015481927 182004703 /nfs/dbraw/zinc/00/47/03/182004703.db2.gz YTKZRTIPLIUQGE-JTQLQIEISA-N 0 1 324.211 3.678 10 0 DHAEMN N[C@H](c1cc(F)ccc1F)c1cc(Br)ccc1F ZINC000019969548 182171726 /nfs/dbraw/zinc/17/17/26/182171726.db2.gz XXSHMSJOSXBFHE-ZDUSSCGKSA-N 0 1 316.120 3.915 10 0 DHAEMN CCCOc1c(Cl)cc(CNCc2cccnc2)cc1OC ZINC000020931425 182255225 /nfs/dbraw/zinc/25/52/25/182255225.db2.gz SUVYZFOSXQYZGK-UHFFFAOYSA-N 0 1 320.820 3.822 10 0 DHAEMN COc1c(CNC2(c3ccc(Cl)cc3)CCC2)c(C)nn1C ZINC000065520831 184359102 /nfs/dbraw/zinc/35/91/02/184359102.db2.gz RGCQILCGTKTSCT-UHFFFAOYSA-N 0 1 319.836 3.560 10 0 DHAEMN Cn1cc([C@@H]2CCCN2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403347 335057368 /nfs/dbraw/zinc/05/73/68/335057368.db2.gz JCWZMUUPISLIQQ-DLBZAZTESA-N 0 1 301.821 3.898 10 0 DHAEMN COc1cccc(NC(=O)CN[C@@H](C)c2cccc(Cl)c2)c1 ZINC000008173838 331976005 /nfs/dbraw/zinc/97/60/05/331976005.db2.gz OOHDEEVTQGMSNW-LBPRGKRZSA-N 0 1 318.804 3.638 10 0 DHAEMN CN1C(=O)C[C@@H](NCc2cccc(Cl)c2)c2ccccc21 ZINC000053147729 332961781 /nfs/dbraw/zinc/96/17/81/332961781.db2.gz HHWYIXVUGLYMER-OAHLLOKOSA-N 0 1 300.789 3.537 10 0 DHAEMN COc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1OC ZINC000178694579 333018339 /nfs/dbraw/zinc/01/83/39/333018339.db2.gz CCVFWZWDYNHQCX-VXGBXAGGSA-N 0 1 304.365 3.650 10 0 DHAEMN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213116 333053106 /nfs/dbraw/zinc/05/31/06/333053106.db2.gz ZYJRDIXLAASEJV-SUMWQHHRSA-N 0 1 304.384 3.918 10 0 DHAEMN C[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)[C@H]1CCCO1 ZINC000183179083 333183620 /nfs/dbraw/zinc/18/36/20/333183620.db2.gz RRBQOMYUCZNMQY-JOYOIKCWSA-N 0 1 314.307 3.504 10 0 DHAEMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2CN1 ZINC000020548053 333322188 /nfs/dbraw/zinc/32/21/88/333322188.db2.gz ZCBLWZFFVHAXIF-HNNXBMFYSA-N 0 1 321.207 3.646 10 0 DHAEMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000049129461 334314865 /nfs/dbraw/zinc/31/48/65/334314865.db2.gz SUKBNVFPBHOCDX-GARJFASQSA-N 0 1 302.871 3.745 10 0 DHAEMN Cc1cc(N2CC[C@H](Oc3cccnc3)C2)c2cc(F)ccc2n1 ZINC000130314539 334923065 /nfs/dbraw/zinc/92/30/65/334923065.db2.gz QOZUYHIHDIFILW-INIZCTEOSA-N 0 1 323.371 3.735 10 0 DHAEMN CC[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000334126262 336218894 /nfs/dbraw/zinc/21/88/94/336218894.db2.gz PNZKLSIZQOZFBD-HZPDHXFCSA-N 0 1 318.465 3.773 10 0 DHAEMN Cc1ccsc1[C@H](N[C@H](C)CO)c1ccc(Cl)cc1F ZINC000182575088 336272559 /nfs/dbraw/zinc/27/25/59/336272559.db2.gz RTMUHJQPXLIERS-QMTHXVAHSA-N 0 1 313.825 3.909 10 0 DHAEMN Fc1ccc(-c2csc(N3CCN4CCCC[C@@H]4C3)n2)cc1 ZINC000301603308 336317790 /nfs/dbraw/zinc/31/77/90/336317790.db2.gz KXWPOTQRSVOSKD-OAHLLOKOSA-N 0 1 317.433 3.624 10 0 DHAEMN Cc1ccc([C@@](C)(O)CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000301644298 336320365 /nfs/dbraw/zinc/32/03/65/336320365.db2.gz CHPUTTJILOPEHH-SFHVURJKSA-N 0 1 314.360 3.903 10 0 DHAEMN C[C@@H](Nc1ccncc1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000302203282 336353820 /nfs/dbraw/zinc/35/38/20/336353820.db2.gz BXCIJNSPDLKJAX-SECBINFHSA-N 0 1 315.760 3.753 10 0 DHAEMN Cc1cccc(NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000302233579 336355392 /nfs/dbraw/zinc/35/53/92/336355392.db2.gz FZTWSJHEKFBNHU-OAHLLOKOSA-N 0 1 319.449 3.839 10 0 DHAEMN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000122887793 337028016 /nfs/dbraw/zinc/02/80/16/337028016.db2.gz BTCFTHIGWDBKHF-MRXNPFEDSA-N 0 1 301.409 3.730 10 0 DHAEMN Cc1nc([C@@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)n[nH]1 ZINC000392356148 337205066 /nfs/dbraw/zinc/20/50/66/337205066.db2.gz SVLVBHJPQDBXPF-RNFRBKRXSA-N 0 1 317.195 3.971 10 0 DHAEMN C[C@@H](COCc1ccccc1)NCc1nccn1-c1ccccc1 ZINC000191227756 337295077 /nfs/dbraw/zinc/29/50/77/337295077.db2.gz ISHGSLZQIJFBQB-KRWDZBQOSA-N 0 1 321.424 3.567 10 0 DHAEMN CN(C)C[C@@H]1CN2c3ccccc3Sc3cccc(c32)C1=O ZINC000584632680 337377237 /nfs/dbraw/zinc/37/72/37/337377237.db2.gz PRLDIFCGGIHYKG-GFCCVEGCSA-N 0 1 310.422 3.663 10 0 DHAEMN CCC[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)N(C)C ZINC000162250710 337610541 /nfs/dbraw/zinc/61/05/41/337610541.db2.gz FYWUTXNRZDUHEI-SFHVURJKSA-N 0 1 318.461 3.815 10 0 DHAEMN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000057382238 337859393 /nfs/dbraw/zinc/85/93/93/337859393.db2.gz PLUWXWRYWLDIHD-LLVKDONJSA-N 0 1 306.768 3.768 10 0 DHAEMN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391548 340845948 /nfs/dbraw/zinc/84/59/48/340845948.db2.gz ZURLOQWFYYWTRX-MNOVXSKESA-N 0 1 314.832 3.823 10 0 DHAEMN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2Cl)C1 ZINC000245200609 341285398 /nfs/dbraw/zinc/28/53/98/341285398.db2.gz LIMMLJHMCFCFHA-ZIAGYGMSSA-N 0 1 308.853 3.782 10 0 DHAEMN CO[C@@H]1C[C@@H](c2nc(C)no2)N(CC[C@H](C)CCC=C(C)C)C1 ZINC000248661909 341383707 /nfs/dbraw/zinc/38/37/07/341383707.db2.gz FVXZEEMAHMQZRA-OIISXLGYSA-N 0 1 321.465 3.912 10 0 DHAEMN Cc1csc([C@H]2CN(C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062906 341392890 /nfs/dbraw/zinc/39/28/90/341392890.db2.gz IFTPTIKCXBRJQD-NUEKZKHPSA-N 0 1 306.475 3.817 10 0 DHAEMN CCC[C@H](C(=O)Nc1cccc(Oc2ccncc2)c1)N(C)C ZINC000162113345 520989466 /nfs/dbraw/zinc/98/94/66/520989466.db2.gz BRPBHLFUJICLHU-QGZVFWFLSA-N 0 1 313.401 3.543 10 0 DHAEMN COC(=O)c1ccc(CN[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000181636150 522041953 /nfs/dbraw/zinc/04/19/53/522041953.db2.gz VRDQMAGDMULRAC-SECBINFHSA-N 0 1 311.353 3.664 10 0 DHAEMN C[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1 ZINC000181656168 525384732 /nfs/dbraw/zinc/38/47/32/525384732.db2.gz WKTDRHDKHKDGNG-LRDDRELGSA-N 0 1 315.804 3.579 10 0 DHAEMN Cc1c(CN[C@H](c2ccccc2)c2ccccc2C)cnn1C ZINC000181026402 525727836 /nfs/dbraw/zinc/72/78/36/525727836.db2.gz XFHJRAXATRYGQG-HXUWFJFHSA-N 0 1 305.425 3.916 10 0 DHAEMN Cc1ccc([C@H](N)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000228080621 525962142 /nfs/dbraw/zinc/96/21/42/525962142.db2.gz JEDMMQDJFWIMHU-HZMBPMFUSA-N 0 1 308.834 3.587 10 0 DHAEMN Cc1cnn([C@H]2CCCN([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102036 526268743 /nfs/dbraw/zinc/26/87/43/526268743.db2.gz OZWVBSRIFRBAGV-GJZGRUSLSA-N 0 1 310.401 3.731 10 0 DHAEMN c1nnc([C@H]2CCCCN2CCOc2cccc3ccccc32)[nH]1 ZINC000182684133 526604644 /nfs/dbraw/zinc/60/46/44/526604644.db2.gz VRDQPXKIUQWFEM-QGZVFWFLSA-N 0 1 322.412 3.564 10 0 DHAEMN Cc1oc2nc(CN3CCC[C@@H]4CCCC[C@H]43)nc(N)c2c1C ZINC000246858000 526791976 /nfs/dbraw/zinc/79/19/76/526791976.db2.gz UEXOUPCRPHCBKJ-UONOGXRCSA-N 0 1 314.433 3.576 10 0 DHAEMN CCCC(CCC)c1[nH]nc2c1CN(c1ccc(C)nn1)CC2 ZINC000023250519 563419738 /nfs/dbraw/zinc/41/97/38/563419738.db2.gz AZNRYTQHUYQRKV-UHFFFAOYSA-N 0 1 313.449 3.755 10 0 DHAEMN Cc1n[nH]c(CCc2ccccc2)c1NC(=O)Cc1ccccc1 ZINC000034795270 563451396 /nfs/dbraw/zinc/45/13/96/563451396.db2.gz WNTZIKVVUXJFSE-UHFFFAOYSA-N 0 1 319.408 3.685 10 0 DHAEMN CC[C@H](O)CN(Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095354 563892709 /nfs/dbraw/zinc/89/27/09/563892709.db2.gz BISSIJAJHCIKLR-KRWDZBQOSA-N 0 1 317.404 3.607 10 0 DHAEMN Brc1ccc([C@@H]2NCCc3sccc32)s1 ZINC000084723245 563912548 /nfs/dbraw/zinc/91/25/48/563912548.db2.gz VQKOIYMHVJHQEL-LLVKDONJSA-N 0 1 300.246 3.807 10 0 DHAEMN CS[C@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000382880249 971837279 /nfs/dbraw/zinc/83/72/79/971837279.db2.gz LUQBANCDYPOKMM-JTQLQIEISA-N 0 1 307.440 3.537 10 0 DHAEMN O=C([O-])CCCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000262298268 961629366 /nfs/dbraw/zinc/62/93/66/961629366.db2.gz ZBBMSLADICTYIU-FQEVSTJZSA-N 0 1 309.409 3.889 10 0 DHAEMN CC(C)CCN1Cc2cccc(NC(=O)C3=CCCCO3)c2C1 ZINC000073338155 1030591823 /nfs/dbraw/zinc/59/18/23/1030591823.db2.gz XXEGRHWQOMMCDK-UHFFFAOYSA-N 0 1 314.429 3.681 10 0 DHAEMN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000077012210 1030834594 /nfs/dbraw/zinc/83/45/94/1030834594.db2.gz PRRWGZYHGUGISS-BJOHPYRUSA-N 0 1 303.745 3.549 10 0 DHAEMN COc1ccc(/C=C\c2nc(C)nc(-c3ccccc3O)n2)cc1 ZINC000096803796 185388865 /nfs/dbraw/zinc/38/88/65/185388865.db2.gz ZAQIJRYDBOLWCY-XFXZXTDPSA-N 0 1 319.364 3.732 10 0 DHAEMN CCc1ccccc1-c1n[nH]c(-c2cccc(OC)c2OC)n1 ZINC000005956808 181300704 /nfs/dbraw/zinc/30/07/04/181300704.db2.gz VZQPCDXWNFBKBG-UHFFFAOYSA-N 0 1 309.369 3.718 10 0 DHAEMN CCc1ccc([C@@H](N[C@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377420 193048753 /nfs/dbraw/zinc/04/87/53/193048753.db2.gz AVZAFGBRIKVYEG-ROUUACIJSA-N 0 1 312.461 3.971 10 0 DHAEMN Cc1cc(Br)ccc1-n1c(N)nc2ccccc21 ZINC000020586140 182235527 /nfs/dbraw/zinc/23/55/27/182235527.db2.gz KAQKYGRUXRYJQC-UHFFFAOYSA-N 0 1 302.175 3.679 10 0 DHAEMN COc1ccc([C@@H]2NCc3c(C)cc(C)nc3-n3cccc32)cc1 ZINC000020865080 182250367 /nfs/dbraw/zinc/25/03/67/182250367.db2.gz NQSUPTWPQPWWGC-IBGZPJMESA-N 0 1 319.408 3.690 10 0 DHAEMN Cc1cc(C)cc(Nc2ncnc(Nc3ccncc3)c2N)c1 ZINC000040681702 183117169 /nfs/dbraw/zinc/11/71/69/183117169.db2.gz ZWKVWOCPQMMJGN-UHFFFAOYSA-N 0 1 306.373 3.558 10 0 DHAEMN O=C(Nc1ccc2ccccc2c1)N1CCN2CCCC[C@@H]2C1 ZINC000104970980 194060584 /nfs/dbraw/zinc/06/05/84/194060584.db2.gz UFOXPSBFPZAAIP-GOSISDBHSA-N 0 1 309.413 3.542 10 0 DHAEMN Cc1c(N)cccc1-c1nc2ccc(Br)cc2[nH]1 ZINC000061857202 184190017 /nfs/dbraw/zinc/19/00/17/184190017.db2.gz CHPZCTFAGIQGCD-UHFFFAOYSA-N 0 1 302.175 3.883 10 0 DHAEMN Cc1cccc(CC[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000062702835 184248222 /nfs/dbraw/zinc/24/82/22/184248222.db2.gz AMYHGQPKDZXGDT-UHFFFAOYSA-N 0 1 320.230 3.795 10 0 DHAEMN c1coc([C@H](NC[C@H]2CSCCS2)c2ccccc2)c1 ZINC000168447846 332567215 /nfs/dbraw/zinc/56/72/15/332567215.db2.gz DUIKRDOWNIVFKG-GOEBONIOSA-N 0 1 305.468 3.807 10 0 DHAEMN Fc1ccc(Cl)c(CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000189028660 333061151 /nfs/dbraw/zinc/06/11/51/333061151.db2.gz PETPVGYLXNEZKC-ZDUSSCGKSA-N 0 1 319.811 3.808 10 0 DHAEMN COC(=O)c1ccc(F)c(CN[C@H](C)c2ccccc2C)c1 ZINC000182104335 333149549 /nfs/dbraw/zinc/14/95/49/333149549.db2.gz XJOGAYAUEAJXTI-CYBMUJFWSA-N 0 1 301.361 3.772 10 0 DHAEMN c1n[nH]cc1[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179688134 333154580 /nfs/dbraw/zinc/15/45/80/333154580.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 0 1 307.401 3.527 10 0 DHAEMN Cc1nc(C2(NC[C@@H]3CCCC(F)(F)C3)CCCCC2)no1 ZINC000328672306 334747059 /nfs/dbraw/zinc/74/70/59/334747059.db2.gz IBKBRSGEYFOBLH-CYBMUJFWSA-N 0 1 313.392 3.953 10 0 DHAEMN C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000192941194 336285414 /nfs/dbraw/zinc/28/54/14/336285414.db2.gz MERZOUFKHJQZNH-BEFAXECRSA-N 0 1 310.441 3.575 10 0 DHAEMN Cc1csc([C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1 ZINC000170748651 337083046 /nfs/dbraw/zinc/08/30/46/337083046.db2.gz QWGZRLPOOGLXMA-LBPRGKRZSA-N 0 1 324.881 3.526 10 0 DHAEMN C[C@H]1CN(Cc2ccccc2OCC(F)(F)F)CCS1 ZINC000173663596 337137255 /nfs/dbraw/zinc/13/72/55/337137255.db2.gz YLINNYKJAILZDW-NSHDSACASA-N 0 1 305.365 3.565 10 0 DHAEMN Cc1sc2ncnc(SCc3n[nH]c(C4CC4)n3)c2c1C ZINC000179648505 337170886 /nfs/dbraw/zinc/17/08/86/337170886.db2.gz ZEGFOUVWOBULHD-UHFFFAOYSA-N 0 1 317.443 3.596 10 0 DHAEMN CCn1cc(C2CCN([C@@H](C)c3nc4ccccc4o3)CC2)cn1 ZINC000181046806 337179440 /nfs/dbraw/zinc/17/94/40/337179440.db2.gz DPNLTQMOFMINRW-AWEZNQCLSA-N 0 1 324.428 3.985 10 0 DHAEMN Cc1ccc2c(c1)[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)[C@@H](C)C2 ZINC000182688332 337189451 /nfs/dbraw/zinc/18/94/51/337189451.db2.gz NZCLWDPCLWZZQJ-BEVDRBHNSA-N 0 1 322.452 3.647 10 0 DHAEMN C[C@@H](NCc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CCCO1 ZINC000183104055 337190038 /nfs/dbraw/zinc/19/00/38/337190038.db2.gz OLUKRYOVBMVFQO-RISCZKNCSA-N 0 1 306.793 3.652 10 0 DHAEMN CC(C)Cc1ccc([C@@H](C)NCc2cn3cccnc3n2)cc1 ZINC000123964675 337402455 /nfs/dbraw/zinc/40/24/55/337402455.db2.gz ROFCGGDZGYFNAG-OAHLLOKOSA-N 0 1 308.429 3.779 10 0 DHAEMN Brc1ccc(CN[C@H]2COc3ccccc32)cc1 ZINC000070070276 337546238 /nfs/dbraw/zinc/54/62/38/337546238.db2.gz QXHFSJRCWMATFH-AWEZNQCLSA-N 0 1 304.187 3.672 10 0 DHAEMN Cc1ccc(S[C@@H](C)c2nc(C3(N)CCCC3)no2)cc1 ZINC000261626031 337606734 /nfs/dbraw/zinc/60/67/34/337606734.db2.gz CEMWSMRDBYUACK-LBPRGKRZSA-N 0 1 303.431 3.959 10 0 DHAEMN Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187966 341362115 /nfs/dbraw/zinc/36/21/15/341362115.db2.gz WJYOSFQAPUFCRN-IUODEOHRSA-N 0 1 305.372 3.695 10 0 DHAEMN CCONC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184933445 520236392 /nfs/dbraw/zinc/23/63/92/520236392.db2.gz NINBFXJYMFGJFV-YPMHNXCESA-N 0 1 318.200 3.529 10 0 DHAEMN CCn1cc([C@@H]2CN(Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699602 523467683 /nfs/dbraw/zinc/46/76/83/523467683.db2.gz PEJZAEWWCLYYLJ-FQEVSTJZSA-N 0 1 321.424 3.630 10 0 DHAEMN CCn1cnnc1C1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105928439 523583482 /nfs/dbraw/zinc/58/34/82/523583482.db2.gz SYKOFWRHCKSBCI-LBPRGKRZSA-N 0 1 320.387 3.517 10 0 DHAEMN C[C@@H](NCc1coc(-c2cccc(Cl)c2)n1)[C@H]1CCCO1 ZINC000183089298 525552976 /nfs/dbraw/zinc/55/29/76/525552976.db2.gz YYRIYUZBKUGMOG-IAQYHMDHSA-N 0 1 306.793 3.652 10 0 DHAEMN COc1ccc2oc(CN3CCC[C@@H]3c3cnn(C)c3)cc2c1 ZINC000131972417 525683599 /nfs/dbraw/zinc/68/35/99/525683599.db2.gz HUMQZQCKIALVQL-QGZVFWFLSA-N 0 1 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c1ccc(-c2cccc(CN3CCO[C@@H]4CCCC[C@H]43)c2)nc1 ZINC000245542876 341300915 /nfs/dbraw/zinc/30/09/15/341300915.db2.gz QGMVBKDPWOJTTI-WOJBJXKFSA-N 0 1 308.425 3.892 10 0 DHAEMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000249788570 341401139 /nfs/dbraw/zinc/40/11/39/341401139.db2.gz SUKBNVFPBHOCDX-HBNTYKKESA-N 0 1 302.871 3.745 10 0 DHAEMN CC1(C)CCc2ccccc2[C@H]1NCc1cn2cccnc2n1 ZINC000183134504 520416971 /nfs/dbraw/zinc/41/69/71/520416971.db2.gz GGQVTUBFXMPJBD-QGZVFWFLSA-N 0 1 306.413 3.533 10 0 DHAEMN C[C@H]1CN(Cc2ccccc2OCc2cccnc2)CCS1 ZINC000131395036 524635469 /nfs/dbraw/zinc/63/54/69/524635469.db2.gz VXEGVBTVYWYYTB-HNNXBMFYSA-N 0 1 314.454 3.598 10 0 DHAEMN Cc1nc(CN[C@H](C)[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110493 526892653 /nfs/dbraw/zinc/89/26/53/526892653.db2.gz FLLFRBBIOQQPQL-IAQYHMDHSA-N 0 1 320.820 3.961 10 0 DHAEMN CN(C)C[C@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000119949334 535955526 /nfs/dbraw/zinc/95/55/26/535955526.db2.gz UDUXJTTYOKVGRB-KRWDZBQOSA-N 0 1 306.812 3.872 10 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3.606 10 0 DHAEMN C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816086 526055482 /nfs/dbraw/zinc/05/54/82/526055482.db2.gz PHWPXPKXLCSUKF-KBVBSXBZSA-N 0 1 302.201 3.707 10 0 DHAEMN Cc1cnn([C@H]2CCCN(CCOc3ccccc3Cl)C2)c1 ZINC000106224910 526267561 /nfs/dbraw/zinc/26/75/61/526267561.db2.gz HTWFCTFHSLFNQC-HNNXBMFYSA-N 0 1 319.836 3.561 10 0 DHAEMN c1nnc([C@H]2CCCCN2CCCSCc2ccccc2)[nH]1 ZINC000182735444 526603551 /nfs/dbraw/zinc/60/35/51/526603551.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 0 1 316.474 3.655 10 0 DHAEMN C[C@H]1CC=C(NC(=O)c2ccccc2)CN1Cc1ccccc1 ZINC000095347738 563528995 /nfs/dbraw/zinc/52/89/95/563528995.db2.gz RMTCVLGVWGLHPG-INIZCTEOSA-N 0 1 306.409 3.595 10 0 DHAEMN Cc1n[nH]c(I)c1-c1cccc(Cl)c1 ZINC000675075550 563911072 /nfs/dbraw/zinc/91/10/72/563911072.db2.gz AGHFFKNRBBTVRZ-UHFFFAOYSA-N 0 1 318.545 3.643 10 0 DHAEMN FC(F)c1[nH]nc(I)c1-c1ccccc1 ZINC000675076251 563911155 /nfs/dbraw/zinc/91/11/55/563911155.db2.gz MLWDNEMZIOVGLH-UHFFFAOYSA-N 0 1 320.080 3.619 10 0 DHAEMN C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000385247098 971989682 /nfs/dbraw/zinc/98/96/82/971989682.db2.gz JMDGTKQNPCOHCJ-AWEZNQCLSA-N 0 1 310.397 3.581 10 0 DHAEMN C[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000722131666 955193670 /nfs/dbraw/zinc/19/36/70/955193670.db2.gz COBLMBAGHLGSSZ-IINYFYTJSA-N 0 1 316.228 3.721 10 0 DHAEMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000262953832 962038255 /nfs/dbraw/zinc/03/82/55/962038255.db2.gz BCBPCDOZGKPGAN-IBGZPJMESA-N 0 1 309.409 3.982 10 0 DHAEMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000263189536 962346194 /nfs/dbraw/zinc/34/61/94/962346194.db2.gz VKNKJVMFZSSTBM-ZDUSSCGKSA-N 0 1 322.474 3.878 10 0 DHAEMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000263189536 962346206 /nfs/dbraw/zinc/34/62/06/962346206.db2.gz VKNKJVMFZSSTBM-ZDUSSCGKSA-N 0 1 322.474 3.878 10 0 DHAEMN C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000314655333 963785393 /nfs/dbraw/zinc/78/53/93/963785393.db2.gz NBBFXKFDQNINLU-DTWKUNHWSA-N 0 1 310.806 3.907 10 0 DHAEMN COc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000092788818 1032509690 /nfs/dbraw/zinc/50/96/90/1032509690.db2.gz KULOOFRIVWVPSM-CQSZACIVSA-N 0 1 318.442 3.540 10 0 DHAEMN Brc1ccc(-c2cnc(CNC3CC3)s2)cc1 ZINC000083241303 192366676 /nfs/dbraw/zinc/36/66/76/192366676.db2.gz ITAHHIKGPUVUBR-UHFFFAOYSA-N 0 1 309.232 3.825 10 0 DHAEMN CCc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000083434143 192370837 /nfs/dbraw/zinc/37/08/37/192370837.db2.gz JWFNSGPCAUTCPD-RBUKOAKNSA-N 0 1 309.409 3.549 10 0 DHAEMN CCc1ccc([C@@H](N[C@@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377418 193048959 /nfs/dbraw/zinc/04/89/59/193048959.db2.gz AVZAFGBRIKVYEG-MSOLQXFVSA-N 0 1 312.461 3.971 10 0 DHAEMN N[C@@H](c1ccc(F)cc1F)c1cc(Br)ccc1F ZINC000019969029 182171806 /nfs/dbraw/zinc/17/18/06/182171806.db2.gz STFCBRZAWLSZGU-ZDUSSCGKSA-N 0 1 316.120 3.915 10 0 DHAEMN C[C@H](c1c(F)cccc1F)N1CCC(Cn2cccn2)CC1 ZINC000106186069 194190000 /nfs/dbraw/zinc/19/00/00/194190000.db2.gz QWVMFAFGCYOKNI-CYBMUJFWSA-N 0 1 305.372 3.635 10 0 DHAEMN [O-]c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000057901594 184061469 /nfs/dbraw/zinc/06/14/69/184061469.db2.gz DCGOYHSLHNDKNP-UHFFFAOYSA-N 0 1 324.193 3.626 10 0 DHAEMN CO[C@@H]1CC(=C(c2cccs2)c2cccs2)CN(C)C1 ZINC000059555681 184139579 /nfs/dbraw/zinc/13/95/79/184139579.db2.gz CDLDDIHSXRLVEM-CYBMUJFWSA-N 0 1 305.468 3.962 10 0 DHAEMN Cn1cc([C@H]2CCCN2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403441 335057495 /nfs/dbraw/zinc/05/74/95/335057495.db2.gz JCWZMUUPISLIQQ-IAGOWNOFSA-N 0 1 301.821 3.898 10 0 DHAEMN C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163940938 132127763 /nfs/dbraw/zinc/12/77/63/132127763.db2.gz DGCUTMKNMFUQBG-WMLDXEAASA-N 0 1 311.429 3.907 10 0 DHAEMN C[C@@H](NCCn1ccnc1)c1c(Cl)ccc(F)c1Cl ZINC000041119100 332214417 /nfs/dbraw/zinc/21/44/17/332214417.db2.gz LVTLOMIGJWHOMS-SECBINFHSA-N 0 1 302.180 3.680 10 0 DHAEMN C[C@@H](NCC(=O)NC1CCCCCC1)c1ccc(Cl)s1 ZINC000053341240 332233514 /nfs/dbraw/zinc/23/35/14/332233514.db2.gz HMMCLYMXYDPHIF-LLVKDONJSA-N 0 1 314.882 3.891 10 0 DHAEMN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)s1 ZINC000049129560 334315250 /nfs/dbraw/zinc/31/52/50/334315250.db2.gz QMJPECOSYYMRJR-SECBINFHSA-N 0 1 312.797 3.830 10 0 DHAEMN CCC(C)(C)NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000102687096 335929966 /nfs/dbraw/zinc/92/99/66/335929966.db2.gz PMQZEQMDTSBXGZ-JTQLQIEISA-N 0 1 317.260 3.949 10 0 DHAEMN CC(C)(C)c1nccc(Sc2nc(-c3cccs3)n[nH]2)n1 ZINC000301556870 336314659 /nfs/dbraw/zinc/31/46/59/336314659.db2.gz WUVZBCPXGUATNA-UHFFFAOYSA-N 0 1 317.443 3.772 10 0 DHAEMN C[C@H]1CN(Cc2ccccc2Oc2cccnc2)CCS1 ZINC000171687039 337088664 /nfs/dbraw/zinc/08/86/64/337088664.db2.gz DNRHZSXXZFUOPG-AWEZNQCLSA-N 0 1 300.427 3.811 10 0 DHAEMN CCO[C@H]1C[C@@H](N(C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670159 337129438 /nfs/dbraw/zinc/12/94/38/337129438.db2.gz PSRAURWHLXTGIS-SJORKVTESA-N 0 1 305.466 3.634 10 0 DHAEMN O[C@@H](CN1CCC[C@@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047522 337261320 /nfs/dbraw/zinc/26/13/20/337261320.db2.gz DJVXXPNHQLBAIT-CABCVRRESA-N 0 1 309.768 3.943 10 0 DHAEMN O=C1c2ccccc2S(=O)(=O)[C@@H]1c1cccc2ccccc21 ZINC000584596772 337374247 /nfs/dbraw/zinc/37/42/47/337374247.db2.gz XHBHUYGBOXLORB-GOSISDBHSA-N 0 1 308.358 3.551 10 0 DHAEMN O=C1c2ccccc2S(=O)(=O)C1c1cccc2ccccc21 ZINC000584596772 337374248 /nfs/dbraw/zinc/37/42/48/337374248.db2.gz XHBHUYGBOXLORB-GOSISDBHSA-N 0 1 308.358 3.551 10 0 DHAEMN C[C@@H](c1ccc(F)c(F)c1)N1CCC(c2ccnn2C)CC1 ZINC000195503971 337467488 /nfs/dbraw/zinc/46/74/88/337467488.db2.gz VDMQYCVPKQKVRI-LBPRGKRZSA-N 0 1 305.372 3.639 10 0 DHAEMN Cc1ccc2c(c1)[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@H](C)C2 ZINC000245715363 337489973 /nfs/dbraw/zinc/48/99/73/337489973.db2.gz NZCLWDPCLWZZQJ-CDHQVMDDSA-N 0 1 322.452 3.647 10 0 DHAEMN CC(C)N(C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000072878328 337548772 /nfs/dbraw/zinc/54/87/72/337548772.db2.gz VPNMWEPJGDUHQS-QWHCGFSZSA-N 0 1 312.404 3.649 10 0 DHAEMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391545 340845931 /nfs/dbraw/zinc/84/59/31/340845931.db2.gz ZURLOQWFYYWTRX-WDEREUQCSA-N 0 1 314.832 3.823 10 0 DHAEMN Cc1nc(C[C@@H]2CCCN([C@H](C)c3cc(F)ccc3F)C2)no1 ZINC000245866530 341316692 /nfs/dbraw/zinc/31/66/92/341316692.db2.gz UMIODEVFVXXENX-YPMHNXCESA-N 0 1 321.371 3.672 10 0 DHAEMN CCCC1CCC(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959109 341390763 /nfs/dbraw/zinc/39/07/63/341390763.db2.gz MCQQQWBFPPQBLT-BACDZXNISA-N 0 1 321.465 3.746 10 0 DHAEMN CCC[C@H](C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)N(C)C ZINC000161691662 520989296 /nfs/dbraw/zinc/98/92/96/520989296.db2.gz DDZOUISUKITNOT-MRXNPFEDSA-N 0 1 315.417 3.627 10 0 DHAEMN CCC[C@H](C(=O)Nc1cccc(Oc2ccccn2)c1)N(C)C ZINC000162363106 520989441 /nfs/dbraw/zinc/98/94/41/520989441.db2.gz DQEJIAITYKRPLU-MRXNPFEDSA-N 0 1 313.401 3.543 10 0 DHAEMN Cc1cccc(Cl)c1NC(=O)CN[C@H](C)c1cccs1 ZINC000182556434 524482277 /nfs/dbraw/zinc/48/22/77/524482277.db2.gz KKXSHBJPPVOGME-LLVKDONJSA-N 0 1 308.834 3.999 10 0 DHAEMN c1cc2n(c1)CCN[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000032500379 526449600 /nfs/dbraw/zinc/44/96/00/526449600.db2.gz RFQCJEXQNRTZAC-FQEVSTJZSA-N 0 1 304.393 3.760 10 0 DHAEMN CN1CC[NH+]=C(c2cc(Cl)ccc2[O-])C=C1c1ccccc1 ZINC000000044304 563211710 /nfs/dbraw/zinc/21/17/10/563211710.db2.gz DQEWTZRXQLTMOA-UHFFFAOYSA-N 0 1 312.800 3.821 10 0 DHAEMN Brc1ccsc1[C@@H]1NCCc2ccsc21 ZINC000712523655 563321035 /nfs/dbraw/zinc/32/10/35/563321035.db2.gz PCMHEEDGXIPZJP-SECBINFHSA-N 0 1 300.246 3.807 10 0 DHAEMN Brc1ccsc1[C@H]1NCCc2ccsc21 ZINC000712523659 563321408 /nfs/dbraw/zinc/32/14/08/563321408.db2.gz PCMHEEDGXIPZJP-VIFPVBQESA-N 0 1 300.246 3.807 10 0 DHAEMN Cc1nc(CN)sc1-c1cc(Br)c(C)s1 ZINC000669379212 563869594 /nfs/dbraw/zinc/86/95/94/563869594.db2.gz AHEMQMUTTDDWCR-UHFFFAOYSA-N 0 1 303.250 3.710 10 0 DHAEMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000383536933 971875507 /nfs/dbraw/zinc/87/55/07/971875507.db2.gz CHXBCQWOACBGCH-UHFFFAOYSA-N 0 1 301.361 3.936 10 0 DHAEMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720612 959897445 /nfs/dbraw/zinc/89/74/45/959897445.db2.gz ZGHUQWITJFTHRK-LBPRGKRZSA-N 0 1 312.207 3.522 10 0 DHAEMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000308346347 963268686 /nfs/dbraw/zinc/26/86/86/963268686.db2.gz AVHKWQGOUDSQMC-HTQZYQBOSA-N 0 1 308.230 3.740 10 0 DHAEMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)sc1Cl ZINC000308346347 963268693 /nfs/dbraw/zinc/26/86/93/963268693.db2.gz AVHKWQGOUDSQMC-HTQZYQBOSA-N 0 1 308.230 3.740 10 0 DHAEMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000309530348 963353523 /nfs/dbraw/zinc/35/35/23/963353523.db2.gz FAFLIYRSJMKKKQ-UHFFFAOYSA-N 0 1 301.361 3.935 10 0 DHAEMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1Cl ZINC000692427161 976466701 /nfs/dbraw/zinc/46/67/01/976466701.db2.gz FENQTVVSPNWKDT-UHFFFAOYSA-N 0 1 321.779 3.956 10 0 DHAEMN I/C=C\CNCc1cccc2ccccc21 ZINC000090560414 185303650 /nfs/dbraw/zinc/30/36/50/185303650.db2.gz SQDOINGZYLZAOT-WTKPLQERSA-N 0 1 323.177 3.878 10 0 DHAEMN COc1ccc2[nH+]cc(C(=O)[O-])c(Nc3ccc(F)cc3)c2c1 ZINC000004226219 181085988 /nfs/dbraw/zinc/08/59/88/181085988.db2.gz ZRMVDNISYIGIQE-UHFFFAOYSA-N 0 1 312.300 3.824 10 0 DHAEMN C[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006416530 181339366 /nfs/dbraw/zinc/33/93/66/181339366.db2.gz BWDRPOSNGDUAMA-ZWNOBZJWSA-N 0 1 301.308 3.706 10 0 DHAEMN COc1cccc(OC)c1[C@H](N)c1ccc(Br)cc1 ZINC000019415096 182122518 /nfs/dbraw/zinc/12/25/18/182122518.db2.gz NIOUWSTWVRWJNY-OAHLLOKOSA-N 0 1 322.202 3.514 10 0 DHAEMN COc1cccc(OC)c1[C@@H](N)c1ccc(Br)cc1 ZINC000019415094 182122792 /nfs/dbraw/zinc/12/27/92/182122792.db2.gz NIOUWSTWVRWJNY-HNNXBMFYSA-N 0 1 322.202 3.514 10 0 DHAEMN Nc1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 ZINC000019487130 182124945 /nfs/dbraw/zinc/12/49/45/182124945.db2.gz XXOIRMNNUBXVSN-UHFFFAOYSA-N 0 1 306.138 3.714 10 0 DHAEMN C[C@H](NCc1ccc(F)c(Br)c1)c1ccncc1 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c1cncc(-c2cccc(CN3CCO[C@@H]4CCCC[C@H]43)c2)c1 ZINC000245541757 341300839 /nfs/dbraw/zinc/30/08/39/341300839.db2.gz OTVMBXYVKPGXSC-WOJBJXKFSA-N 0 1 308.425 3.892 10 0 DHAEMN Cn1cc([C@H]2CCCN2[C@H]2CCc3c2cccc3Cl)cn1 ZINC000246632291 341354890 /nfs/dbraw/zinc/35/48/90/341354890.db2.gz JCWZMUUPISLIQQ-SJORKVTESA-N 0 1 301.821 3.898 10 0 DHAEMN COC(=O)c1cc2cc(CN[C@@H](C)c3ccc(C)o3)ccc2o1 ZINC000182584800 521918340 /nfs/dbraw/zinc/91/83/40/521918340.db2.gz HETFJCSPKMGZJV-LBPRGKRZSA-N 0 1 313.353 3.972 10 0 DHAEMN CCn1c2ccccc2nc1[C@H](C)NCc1ccc2c[nH]nc2c1 ZINC000237000789 523295091 /nfs/dbraw/zinc/29/50/91/523295091.db2.gz UQMPBYMDIKLCJE-ZDUSSCGKSA-N 0 1 319.412 3.783 10 0 DHAEMN CCc1ccc([C@@H]2CCCCN2C[C@H](O)CC(F)(F)F)o1 ZINC000189391750 524035721 /nfs/dbraw/zinc/03/57/21/524035721.db2.gz WYTMEOIFDLQKJX-YPMHNXCESA-N 0 1 305.340 3.682 10 0 DHAEMN C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816092 526046183 /nfs/dbraw/zinc/04/61/83/526046183.db2.gz PHWPXPKXLCSUKF-VDDIYKPWSA-N 0 1 302.201 3.707 10 0 DHAEMN CCc1ccc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034708617 563451081 /nfs/dbraw/zinc/45/10/81/563451081.db2.gz JLPDONVLFQJCSE-VQTJNVASSA-N 0 1 323.436 3.939 10 0 DHAEMN CS[C@@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000382880266 971837194 /nfs/dbraw/zinc/83/71/94/971837194.db2.gz LUQBANCDYPOKMM-SNVBAGLBSA-N 0 1 307.440 3.537 10 0 DHAEMN C[C@@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000722138058 955193119 /nfs/dbraw/zinc/19/31/19/955193119.db2.gz FRZFPGPZCPAMMC-QMTHXVAHSA-N 0 1 316.228 3.579 10 0 DHAEMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000131833812 958756354 /nfs/dbraw/zinc/75/63/54/958756354.db2.gz CZOUEKUIOKZBHR-LLVKDONJSA-N 0 1 305.399 3.648 10 0 DHAEMN CCCn1nc(C)c(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1C ZINC000092788490 1032510092 /nfs/dbraw/zinc/51/00/92/1032510092.db2.gz ATSGFPIIVNHWFI-OAHLLOKOSA-N 0 1 318.490 3.746 10 0 DHAEMN COc1ccc(OCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000005910952 181296085 /nfs/dbraw/zinc/29/60/85/181296085.db2.gz WWVMOUAUCOLZGS-UHFFFAOYSA-N 0 1 315.760 3.713 10 0 DHAEMN O=C(CNCc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000040827815 183138042 /nfs/dbraw/zinc/13/80/42/183138042.db2.gz VTUKIYAFZQALNE-UHFFFAOYSA-N 0 1 309.196 3.722 10 0 DHAEMN Cc1cccc(Nc2ncnc(NNc3ccccc3)c2N)c1C ZINC000040755024 183129812 /nfs/dbraw/zinc/12/98/12/183129812.db2.gz ANCOTBIIZCBVNN-UHFFFAOYSA-N 0 1 320.400 3.858 10 0 DHAEMN CC(C)N(CCC(N)=S)Cc1c(Cl)cccc1Cl ZINC000042529386 183280821 /nfs/dbraw/zinc/28/08/21/183280821.db2.gz RRIMQXBHLZVDNL-UHFFFAOYSA-N 0 1 305.274 3.880 10 0 DHAEMN CCCN[C@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055300706 183977918 /nfs/dbraw/zinc/97/79/18/183977918.db2.gz FVADCQLNYMPDEW-MWLCHTKSSA-N 0 1 310.246 3.511 10 0 DHAEMN NNc1ccc(Cl)c(COc2c(Cl)cccc2Cl)n1 ZINC000061639425 184180208 /nfs/dbraw/zinc/18/02/08/184180208.db2.gz YFORZYTZDGMNFA-UHFFFAOYSA-N 0 1 318.591 3.906 10 0 DHAEMN Cc1cc(Br)cn2c(N)c(Cc3ccccc3)nc12 ZINC000062431830 184235957 /nfs/dbraw/zinc/23/59/57/184235957.db2.gz YBQFUOPYLCTGLI-UHFFFAOYSA-N 0 1 316.202 3.578 10 0 DHAEMN CCc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000067173472 184452485 /nfs/dbraw/zinc/45/24/85/184452485.db2.gz JWFNSGPCAUTCPD-MOPGFXCFSA-N 0 1 309.409 3.549 10 0 DHAEMN C[C@@H](Oc1cccc(Cl)c1)c1nc(C2(N)CCCCC2)no1 ZINC000261822013 332437125 /nfs/dbraw/zinc/43/71/25/332437125.db2.gz AUGUCKQYCIWMTK-LLVKDONJSA-N 0 1 321.808 3.981 10 0 DHAEMN CC[N@H+]1CCC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000040502776 333353502 /nfs/dbraw/zinc/35/35/02/333353502.db2.gz DATLFURVQFQCHG-CYBMUJFWSA-N 0 1 318.795 3.515 10 0 DHAEMN CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000049129449 334314870 /nfs/dbraw/zinc/31/48/70/334314870.db2.gz KBKIYJXJBIMWHP-UWVGGRQHSA-N 0 1 302.871 3.745 10 0 DHAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)NC1CCCCC1 ZINC000049129487 334315041 /nfs/dbraw/zinc/31/50/41/334315041.db2.gz KSEVGVZHQDSHCE-WDEREUQCSA-N 0 1 314.882 3.890 10 0 DHAEMN Cc1ccccc1NC(=O)CN[C@H](C)c1ccc(Cl)s1 ZINC000049129612 334315299 /nfs/dbraw/zinc/31/52/99/334315299.db2.gz GSSAAUDDPNWNHF-LLVKDONJSA-N 0 1 308.834 3.999 10 0 DHAEMN COc1cncc(CN[C@@H](C)c2cccc(Br)c2)c1 ZINC000343706313 335189287 /nfs/dbraw/zinc/18/92/87/335189287.db2.gz GNAUDCJMUIWFEN-NSHDSACASA-N 0 1 321.218 3.704 10 0 DHAEMN COC(=O)CCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037416923 336239453 /nfs/dbraw/zinc/23/94/53/336239453.db2.gz FOYKJYLODRDZTR-MRVPVSSYSA-N 0 1 308.180 3.736 10 0 DHAEMN Cc1ccc([C@@H](NCC(=O)NC(C)C)c2ccccc2)c(C)c1 ZINC000192864335 336275623 /nfs/dbraw/zinc/27/56/23/336275623.db2.gz XOAKZYIGWPVDEO-FQEVSTJZSA-N 0 1 310.441 3.507 10 0 DHAEMN C[C@H](Nc1nc2ccccc2c(-c2ccccc2)n1)c1nnc[nH]1 ZINC000302051804 336345653 /nfs/dbraw/zinc/34/56/53/336345653.db2.gz PAPYSFIUCNWOAC-LBPRGKRZSA-N 0 1 316.368 3.588 10 0 DHAEMN C[C@H]1C[C@H](C(=O)Nc2cc(CN(C)C)ccn2)CC(C)(C)C1 ZINC000180930487 337178736 /nfs/dbraw/zinc/17/87/36/337178736.db2.gz ZYXZQKFFBSCFOC-ZFWWWQNUSA-N 0 1 303.450 3.544 10 0 DHAEMN CC(C)c1csc([C@H]2CCCN(CCOCC(F)F)C2)n1 ZINC000189411037 337279730 /nfs/dbraw/zinc/27/97/30/337279730.db2.gz YPRLVDYFIKWRIN-LBPRGKRZSA-N 0 1 318.433 3.728 10 0 DHAEMN C[C@H](c1c(F)cccc1F)N1CCC(c2ccnn2C)CC1 ZINC000195504066 337467635 /nfs/dbraw/zinc/46/76/35/337467635.db2.gz IKDAQNXLOTWABN-GFCCVEGCSA-N 0 1 305.372 3.639 10 0 DHAEMN CCn1cc(C2CCN(Cc3sccc3Cl)CC2)cn1 ZINC000194370885 340591718 /nfs/dbraw/zinc/59/17/18/340591718.db2.gz MGVUYUWWKWITLR-UHFFFAOYSA-N 0 1 309.866 3.998 10 0 DHAEMN CN(CCN1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000131277079 341072417 /nfs/dbraw/zinc/07/24/17/341072417.db2.gz RCDBLJHCXVUMPZ-MRXNPFEDSA-N 0 1 301.459 3.807 10 0 DHAEMN COCCN(Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000072822866 341107842 /nfs/dbraw/zinc/10/78/42/341107842.db2.gz CFJOOEQABGOMPC-UHFFFAOYSA-N 0 1 306.409 3.883 10 0 DHAEMN O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCCc2ccccc2)C1 ZINC000246903469 341358432 /nfs/dbraw/zinc/35/84/32/341358432.db2.gz XUJYEZUXXFERCK-LPHOPBHVSA-N 0 1 317.379 3.705 10 0 DHAEMN CC(C)n1ccnc1CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180650170 520029340 /nfs/dbraw/zinc/02/93/40/520029340.db2.gz PQYDFAQKYNTAJZ-HNNXBMFYSA-N 0 1 309.417 3.501 10 0 DHAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc2c[nH]nc2c1 ZINC000236996180 523293496 /nfs/dbraw/zinc/29/34/96/523293496.db2.gz UQMPBYMDIKLCJE-CYBMUJFWSA-N 0 1 319.412 3.783 10 0 DHAEMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc2ccccc2c1 ZINC000131811171 525292524 /nfs/dbraw/zinc/29/25/24/525292524.db2.gz SCXACRMDHKQDBX-DYVFJYSZSA-N 0 1 319.408 3.860 10 0 DHAEMN Cc1cnc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523899 526020260 /nfs/dbraw/zinc/02/02/60/526020260.db2.gz CWFZYLFODLXSRG-HOTGVXAUSA-N 0 1 302.443 3.540 10 0 DHAEMN Cn1cc([C@@H]2CCCN2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322857 527299172 /nfs/dbraw/zinc/29/91/72/527299172.db2.gz ZTNCKUHGHQQJBH-IBGZPJMESA-N 0 1 311.429 3.546 10 0 DHAEMN O[C@H](CCc1ccccc1)CN1CCCC[C@@H]1c1nccs1 ZINC000182299466 527682921 /nfs/dbraw/zinc/68/29/21/527682921.db2.gz RKIKBMIIKGRPOO-IAGOWNOFSA-N 0 1 316.470 3.664 10 0 DHAEMN CC1=C(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000382497944 971817916 /nfs/dbraw/zinc/81/79/16/971817916.db2.gz MARKGZWNFQKWFU-UHFFFAOYSA-N 0 1 324.218 3.689 10 0 DHAEMN C[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000722131663 955193147 /nfs/dbraw/zinc/19/31/47/955193147.db2.gz COBLMBAGHLGSSZ-HZMBPMFUSA-N 0 1 316.228 3.721 10 0 DHAEMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722135617 955193732 /nfs/dbraw/zinc/19/37/32/955193732.db2.gz MVDJOFDGZGXYBT-ZYHUDNBSSA-N 0 1 316.228 3.579 10 0 DHAEMN C[C@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000722138055 955193799 /nfs/dbraw/zinc/19/37/99/955193799.db2.gz FRZFPGPZCPAMMC-HZMBPMFUSA-N 0 1 316.228 3.579 10 0 DHAEMN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ncc(C(=O)[O-])s1 ZINC000314634890 963781898 /nfs/dbraw/zinc/78/18/98/963781898.db2.gz JOMKZQKCZHLZAM-PSASIEDQSA-N 0 1 308.428 3.631 10 0 DHAEMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC000314753203 963803956 /nfs/dbraw/zinc/80/39/56/963803956.db2.gz FIRLDKYTYMZQEI-RKDXNWHRSA-N 0 1 310.806 3.907 10 0 DHAEMN C[C@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC000722134839 978132798 /nfs/dbraw/zinc/13/27/98/978132798.db2.gz DMMPCYVAXBVEAC-BONVTDFDSA-N 0 1 316.228 3.579 10 0 DHAEMN COc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000092788439 1032510646 /nfs/dbraw/zinc/51/06/46/1032510646.db2.gz CWBGLBKBGQFADV-AWEZNQCLSA-N 0 1 318.442 3.540 10 0 DHAEMN COc1ccc(-c2nc3cc(N)cc(Br)c3[nH]2)cc1 ZINC000006296978 181326975 /nfs/dbraw/zinc/32/69/75/181326975.db2.gz ANFBOBHCYXJNHW-UHFFFAOYSA-N 0 1 318.174 3.583 10 0 DHAEMN N[C@H](c1ccc(Br)cc1F)c1cc(F)ccc1F ZINC000019969552 182171854 /nfs/dbraw/zinc/17/18/54/182171854.db2.gz BJQBFBPTOYYJNE-CYBMUJFWSA-N 0 1 316.120 3.915 10 0 DHAEMN N[C@H](Cc1nc2ccccc2s1)c1ccc(Br)o1 ZINC000020428179 182216613 /nfs/dbraw/zinc/21/66/13/182216613.db2.gz YKSHFYZDHBGJET-MRVPVSSYSA-N 0 1 323.215 3.894 10 0 DHAEMN Cc1ccc(Nc2ncnc(Nc3ccncc3)c2N)c(C)c1 ZINC000040687556 183117847 /nfs/dbraw/zinc/11/78/47/183117847.db2.gz AGCREVHPBUPQQG-UHFFFAOYSA-N 0 1 306.373 3.558 10 0 DHAEMN CC(C)(C)c1ccccc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000104974905 194060482 /nfs/dbraw/zinc/06/04/82/194060482.db2.gz AECOQICAFMZDKM-OAHLLOKOSA-N 0 1 315.461 3.686 10 0 DHAEMN CCn1cnnc1C1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000105928486 194172129 /nfs/dbraw/zinc/17/21/29/194172129.db2.gz KXYVLDYRLSMSRX-GFCCVEGCSA-N 0 1 320.387 3.517 10 0 DHAEMN Cc1ccc2nc(Sc3ncc(Br)cn3)[nH]c2c1 ZINC000067119995 184450560 /nfs/dbraw/zinc/45/05/60/184450560.db2.gz QDRONHRKWNDBLH-UHFFFAOYSA-N 0 1 321.203 3.575 10 0 DHAEMN CO[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247983371 257113019 /nfs/dbraw/zinc/11/30/19/257113019.db2.gz YDMZLZHPINGFBY-SJLPKXTDSA-N 0 1 316.470 3.531 10 0 DHAEMN CC[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529592 332315410 /nfs/dbraw/zinc/31/54/10/332315410.db2.gz JYEKGRNUVRRGSN-UONOGXRCSA-N 0 1 300.427 3.897 10 0 DHAEMN CCCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000049129413 334315054 /nfs/dbraw/zinc/31/50/54/334315054.db2.gz BERMTUZZEMQPKG-QWRGUYRKSA-N 0 1 302.871 3.747 10 0 DHAEMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)N1CCCCCC1 ZINC000049129502 334315334 /nfs/dbraw/zinc/31/53/34/334315334.db2.gz GYWMXOXSTCPSSW-VXGBXAGGSA-N 0 1 314.882 3.843 10 0 DHAEMN Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)nc2ccc(F)cc21 ZINC000129127574 334902218 /nfs/dbraw/zinc/90/22/18/334902218.db2.gz ILZWZPCBPDAXGU-HNNXBMFYSA-N 0 1 311.364 3.529 10 0 DHAEMN CC[C@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000334126260 336218867 /nfs/dbraw/zinc/21/88/67/336218867.db2.gz PNZKLSIZQOZFBD-CVEARBPZSA-N 0 1 318.465 3.773 10 0 DHAEMN C=Cn1cc(CN[C@H](C)c2cccc(Br)c2)cn1 ZINC000194345200 336227447 /nfs/dbraw/zinc/22/74/47/336227447.db2.gz FXNMELPSLSSHJO-LLVKDONJSA-N 0 1 306.207 3.597 10 0 DHAEMN CC(C)(C)c1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000104971574 336273111 /nfs/dbraw/zinc/27/31/11/336273111.db2.gz GPZWMDAXOPMJQC-QGZVFWFLSA-N 0 1 315.461 3.686 10 0 DHAEMN C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192941483 336285517 /nfs/dbraw/zinc/28/55/17/336285517.db2.gz KPYPZSUCPFUKHB-STQMWFEESA-N 0 1 321.417 3.641 10 0 DHAEMN C[C@H](Nc1ncnc2[nH]cnc21)c1cc2cc(Cl)ccc2o1 ZINC000301266940 336297743 /nfs/dbraw/zinc/29/77/43/336297743.db2.gz IBTIVYHKUIAFJP-QMMMGPOBSA-N 0 1 313.748 3.926 10 0 DHAEMN Cc1ccc([C@](C)(O)CNc2cc(C)nc3ccc(F)cc32)o1 ZINC000301644297 336320359 /nfs/dbraw/zinc/32/03/59/336320359.db2.gz CHPUTTJILOPEHH-GOSISDBHSA-N 0 1 314.360 3.903 10 0 DHAEMN Fc1ccc2nc(CCNc3cccc(C(F)(F)F)n3)[nH]c2c1 ZINC000301711412 336324951 /nfs/dbraw/zinc/32/49/51/336324951.db2.gz IBQJWZXKCYSALG-UHFFFAOYSA-N 0 1 324.281 3.770 10 0 DHAEMN O[C@@H]1CCCC[C@@H]1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000301800504 336330879 /nfs/dbraw/zinc/33/08/79/336330879.db2.gz SAKARFUHRZCGRO-DZGCQCFKSA-N 0 1 310.319 3.969 10 0 DHAEMN C[C@H](Nc1nc(-c2ccsc2)nc2ccccc21)c1nnc[nH]1 ZINC000301983773 336341341 /nfs/dbraw/zinc/34/13/41/336341341.db2.gz AVQMXODODAOYDO-JTQLQIEISA-N 0 1 322.397 3.650 10 0 DHAEMN Cc1cnn([C@H]2CCCN(Cc3cccn3CCC(C)C)C2)c1 ZINC000123116287 337038010 /nfs/dbraw/zinc/03/80/10/337038010.db2.gz HYYKBEMAPXMYFS-IBGZPJMESA-N 0 1 314.477 3.876 10 0 DHAEMN C[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000183119593 337190036 /nfs/dbraw/zinc/19/00/36/337190036.db2.gz HGEWQCVFRXBKLA-BXUZGUMPSA-N 0 1 306.793 3.652 10 0 DHAEMN O[C@@H](CN1CCC[C@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047503 337261384 /nfs/dbraw/zinc/26/13/84/337261384.db2.gz DJVXXPNHQLBAIT-GJZGRUSLSA-N 0 1 309.768 3.943 10 0 DHAEMN C[C@H](c1cccc(Cl)c1F)N1CC[C@H](c2cnn(C)c2)C1 ZINC000187049656 337261444 /nfs/dbraw/zinc/26/14/44/337261444.db2.gz ZLJNHJHLCRQOBO-NEPJUHHUSA-N 0 1 307.800 3.763 10 0 DHAEMN CCN(C)c1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000190669141 337289508 /nfs/dbraw/zinc/28/95/08/337289508.db2.gz OTLNFGVBBWANIB-LBPRGKRZSA-N 0 1 305.372 3.667 10 0 DHAEMN c1n[nH]cc1[C@@H]1CCCCN1Cc1ccc(OCC2CC2)cc1 ZINC000191367779 337296270 /nfs/dbraw/zinc/29/62/70/337296270.db2.gz OKVDEKRCVGWAFF-IBGZPJMESA-N 0 1 311.429 3.926 10 0 DHAEMN c1n[nH]cc1[C@H]1CCCCN1Cc1ccc(OCC2CC2)cc1 ZINC000191367754 337296309 /nfs/dbraw/zinc/29/63/09/337296309.db2.gz OKVDEKRCVGWAFF-LJQANCHMSA-N 0 1 311.429 3.926 10 0 DHAEMN CC(C)(C)OC(=O)[C@@H]1C(=O)CCc2cc3cc(Cl)ccc3n21 ZINC000584656541 337378032 /nfs/dbraw/zinc/37/80/32/337378032.db2.gz YJWSVBDNYUYFFC-HNNXBMFYSA-N 0 1 319.788 3.693 10 0 DHAEMN COc1ccc(C(=O)c2c(O)ccc3ccc(OC)cc32)cc1 ZINC000584661876 337378380 /nfs/dbraw/zinc/37/83/80/337378380.db2.gz SLHJZGZLHVZIST-UHFFFAOYSA-N 0 1 308.333 3.794 10 0 DHAEMN C[C@H](NCc1ccccc1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000584649086 337380534 /nfs/dbraw/zinc/38/05/34/337380534.db2.gz VKKTXHBKHFLFPU-JTQLQIEISA-N 0 1 324.211 3.505 10 0 DHAEMN CCC[C@H](C(=O)Nc1ccc(-c2nc(C)cs2)cc1)N(C)C ZINC000161915957 337599561 /nfs/dbraw/zinc/59/95/61/337599561.db2.gz KZCHRAYVIHOEOH-OAHLLOKOSA-N 0 1 317.458 3.787 10 0 DHAEMN Cc1ccccc1CNC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000007500269 340466354 /nfs/dbraw/zinc/46/63/54/340466354.db2.gz XIHITCURDFCOMJ-AWEZNQCLSA-N 0 1 316.832 3.615 10 0 DHAEMN CCCCOc1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131911629 341113456 /nfs/dbraw/zinc/11/34/56/341113456.db2.gz RYYQMFLZZNBJBF-IBGZPJMESA-N 0 1 313.445 3.936 10 0 DHAEMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246086222 341324421 /nfs/dbraw/zinc/32/44/21/341324421.db2.gz FGEQOWGUHKKSNK-KBPBESRZSA-N 0 1 317.383 3.855 10 0 DHAEMN Cc1cccc(Cl)c1NC(=O)CN[C@@H](C)c1cccs1 ZINC000182556416 524482674 /nfs/dbraw/zinc/48/26/74/524482674.db2.gz KKXSHBJPPVOGME-NSHDSACASA-N 0 1 308.834 3.999 10 0 DHAEMN C[C@@H](NCc1cn2cccnc2n1)c1ccc(C(C)(C)C)cc1 ZINC000182610024 525549186 /nfs/dbraw/zinc/54/91/86/525549186.db2.gz WYWXHJLRCSYHPH-CQSZACIVSA-N 0 1 308.429 3.878 10 0 DHAEMN Cc1cnn([C@@H]2CCCN(CCOc3ccccc3Cl)C2)c1 ZINC000106224907 526266245 /nfs/dbraw/zinc/26/62/45/526266245.db2.gz HTWFCTFHSLFNQC-OAHLLOKOSA-N 0 1 319.836 3.561 10 0 DHAEMN Cc1cnn([C@@H]2CCCN([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102016 526266733 /nfs/dbraw/zinc/26/67/33/526266733.db2.gz OZWVBSRIFRBAGV-LSDHHAIUSA-N 0 1 310.401 3.731 10 0 DHAEMN Cc1nc(CN[C@H](C)[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110454 526892594 /nfs/dbraw/zinc/89/25/94/526892594.db2.gz FLLFRBBIOQQPQL-ABAIWWIYSA-N 0 1 320.820 3.961 10 0 DHAEMN C[N@@H+](Cc1ccc2ccccc2n1)Cc1ccccc1C(=O)[O-] ZINC000067886534 563492964 /nfs/dbraw/zinc/49/29/64/563492964.db2.gz DSZPBGWJJMZHKB-UHFFFAOYSA-N 0 1 306.365 3.565 10 0 DHAEMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722136144 955193545 /nfs/dbraw/zinc/19/35/45/955193545.db2.gz QYBXKCXRROHRPV-PWSUYJOCSA-N 0 1 316.228 3.721 10 0 DHAEMN C[C@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000722138057 955194304 /nfs/dbraw/zinc/19/43/04/955194304.db2.gz FRZFPGPZCPAMMC-IINYFYTJSA-N 0 1 316.228 3.579 10 0 DHAEMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000308351382 963267984 /nfs/dbraw/zinc/26/79/84/963267984.db2.gz QUBMUSUPPRQGNY-NSHDSACASA-N 0 1 301.839 3.724 10 0 DHAEMN COc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1OC ZINC000092788749 1032511213 /nfs/dbraw/zinc/51/12/13/1032511213.db2.gz KVMGNAWJAPTVGK-CQSZACIVSA-N 0 1 318.442 3.540 10 0 DHAEMN CCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)[O-])cc1 ZINC000083434145 192371665 /nfs/dbraw/zinc/37/16/65/192371665.db2.gz RDTNEPFXZDGUNV-RBUKOAKNSA-N 0 1 309.409 3.549 10 0 DHAEMN Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000072535541 191188441 /nfs/dbraw/zinc/18/84/41/191188441.db2.gz WIVIGQDUIRNSCB-STQMWFEESA-N 0 1 318.367 3.951 10 0 DHAEMN CC[C@]12C=C(C(=O)[O-])n3c4ccccc4c4c3[C@H]1[N@H+](CCC2)CC4 ZINC000005140073 181208998 /nfs/dbraw/zinc/20/89/98/181208998.db2.gz ZFCQLDAGNBFMJQ-QUCCMNQESA-N 0 1 322.408 3.670 10 0 in-vitro DHAEMN CC[C@]12C=C(C(=O)[O-])n3c4ccccc4c4c3[C@H]1[N@@H+](CCC2)CC4 ZINC000005140073 181208999 /nfs/dbraw/zinc/20/89/99/181208999.db2.gz ZFCQLDAGNBFMJQ-QUCCMNQESA-N 0 1 322.408 3.670 10 0 in-vitro DHAEMN N[C@@H](c1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000019968920 182171494 /nfs/dbraw/zinc/17/14/94/182171494.db2.gz GLEMLWVEHJZXIO-ZDUSSCGKSA-N 0 1 316.120 3.915 10 0 DHAEMN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc2CN1 ZINC000020022621 182179601 /nfs/dbraw/zinc/17/96/01/182179601.db2.gz VHNYYBLRWFKSSN-HNNXBMFYSA-N 0 1 321.207 3.646 10 0 DHAEMN CC(C)(C)c1ccccc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000104974907 194060031 /nfs/dbraw/zinc/06/00/31/194060031.db2.gz AECOQICAFMZDKM-HNNXBMFYSA-N 0 1 315.461 3.686 10 0 DHAEMN CC(C)c1ccccc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000104972843 194060218 /nfs/dbraw/zinc/06/02/18/194060218.db2.gz PBXHKYGPUPOZIC-HNNXBMFYSA-N 0 1 301.434 3.512 10 0 DHAEMN c1ccc(-c2cccc(CN3CCO[C@@H]4CCCC[C@@H]43)c2)nc1 ZINC000091979152 332098907 /nfs/dbraw/zinc/09/89/07/332098907.db2.gz QGMVBKDPWOJTTI-VQTJNVASSA-N 0 1 308.425 3.892 10 0 DHAEMN CC[C@@H](N[C@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529595 332315402 /nfs/dbraw/zinc/31/54/02/332315402.db2.gz JYEKGRNUVRRGSN-KGLIPLIRSA-N 0 1 300.427 3.897 10 0 DHAEMN Cc1ccccc1[C@H](C)NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000102683807 335929761 /nfs/dbraw/zinc/92/97/61/335929761.db2.gz FGJQWHQTQQMPGW-ZDUSSCGKSA-N 0 1 315.417 3.570 10 0 DHAEMN CCC[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N(C)C ZINC000179333293 335954440 /nfs/dbraw/zinc/95/44/40/335954440.db2.gz AVOONFXKVFJULJ-NSHDSACASA-N 0 1 320.767 3.610 10 0 DHAEMN CC(C)c1ncsc1NS(=O)(=O)CC12CCC(CC1)C2 ZINC000333402035 336203115 /nfs/dbraw/zinc/20/31/15/336203115.db2.gz ITDKHIIXHFADTM-UHFFFAOYSA-N 0 1 314.476 3.589 10 0 DHAEMN Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2cc(F)ccc2n1 ZINC000301672997 336322645 /nfs/dbraw/zinc/32/26/45/336322645.db2.gz OQFXCUBWHFIZRQ-XWIAVFTESA-N 0 1 314.404 3.932 10 0 DHAEMN O[C@@H]1CCC[C@H]1CNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000301798330 336330693 /nfs/dbraw/zinc/33/06/93/336330693.db2.gz RBAFNVRMRGFSSZ-ZUZCIYMTSA-N 0 1 310.319 3.827 10 0 DHAEMN C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1nnc[nH]1 ZINC000301914464 336337814 /nfs/dbraw/zinc/33/78/14/336337814.db2.gz FSYNFMVNLODFBQ-GFCCVEGCSA-N 0 1 316.368 3.588 10 0 DHAEMN COc1ccc(-c2ccncc2)cc1CN1CCS[C@H](C)C1 ZINC000186933989 337260559 /nfs/dbraw/zinc/26/05/59/337260559.db2.gz NLUUCYXKTYLNRF-CQSZACIVSA-N 0 1 314.454 3.695 10 0 DHAEMN FC(F)(F)C(F)(F)COCCN1CCC[C@@H]1c1ccco1 ZINC000189332899 337278683 /nfs/dbraw/zinc/27/86/83/337278683.db2.gz JDIJKJZOJNMQIX-SNVBAGLBSA-N 0 1 313.266 3.631 10 0 DHAEMN CC(C)c1cnc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190283783 337286467 /nfs/dbraw/zinc/28/64/67/337286467.db2.gz STKOKQAHYXIYKG-KBPBESRZSA-N 0 1 322.499 3.536 10 0 DHAEMN Cn1c(CN2CCCC3(CCCCC3)CC2)nnc1C1CC1 ZINC000190316426 337286587 /nfs/dbraw/zinc/28/65/87/337286587.db2.gz QCNCGFDYCMMJEP-UHFFFAOYSA-N 0 1 302.466 3.629 10 0 DHAEMN CN1CCc2c1ccc1c2CN(C)C[C@H]1c1cc(F)cc(F)c1 ZINC000584662273 337378472 /nfs/dbraw/zinc/37/84/72/337378472.db2.gz WMKWOTNPFLAFPU-KRWDZBQOSA-N 0 1 314.379 3.534 10 0 DHAEMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035018868 337392525 /nfs/dbraw/zinc/39/25/25/337392525.db2.gz ZACCSMSLYUEFJW-UWVGGRQHSA-N 0 1 303.233 3.559 10 0 DHAEMN NC1(c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)CCCC1 ZINC000261911928 337612438 /nfs/dbraw/zinc/61/24/38/337612438.db2.gz ZXDBMKKDMVIZEV-NXEZZACHSA-N 0 1 321.783 3.861 10 0 DHAEMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000246377270 341345693 /nfs/dbraw/zinc/34/56/93/341345693.db2.gz OKEYFYGQQAMJIX-HOCLYGCPSA-N 0 1 304.434 3.596 10 0 DHAEMN CCCC1CCC(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959111 341390841 /nfs/dbraw/zinc/39/08/41/341390841.db2.gz MCQQQWBFPPQBLT-GQGLESIBSA-N 0 1 321.465 3.746 10 0 DHAEMN C[C@]1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCCCN1 ZINC000262139067 341514278 /nfs/dbraw/zinc/51/42/78/341514278.db2.gz MELXWPKFYKXEMH-CQSZACIVSA-N 0 1 311.307 3.744 10 0 DHAEMN CCn1cc([C@H]2CN(Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699617 523482217 /nfs/dbraw/zinc/48/22/17/523482217.db2.gz PEJZAEWWCLYYLJ-HXUWFJFHSA-N 0 1 321.424 3.630 10 0 DHAEMN C[C@H](NCc1cn2cccnc2n1)c1ccc(C(C)(C)C)cc1 ZINC000182610003 525474296 /nfs/dbraw/zinc/47/42/96/525474296.db2.gz WYWXHJLRCSYHPH-AWEZNQCLSA-N 0 1 308.429 3.878 10 0 DHAEMN C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817090 526035797 /nfs/dbraw/zinc/03/57/97/526035797.db2.gz YXQZZTNDBVYIMT-KBVBSXBZSA-N 0 1 302.201 3.707 10 0 DHAEMN Brc1cc([C@H]2NCCc3sccc32)cs1 ZINC000397120708 568415008 /nfs/dbraw/zinc/41/50/08/568415008.db2.gz MOFCIDAYUGXIJO-LLVKDONJSA-N 0 1 300.246 3.807 10 0 DHAEMN CSC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381586475 971765624 /nfs/dbraw/zinc/76/56/24/971765624.db2.gz CRXKQYFIWPXKCF-LLVKDONJSA-N 0 1 313.850 3.613 10 0 DHAEMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720605 959897298 /nfs/dbraw/zinc/89/72/98/959897298.db2.gz ZGHUQWITJFTHRK-GFCCVEGCSA-N 0 1 312.207 3.522 10 0 DHAEMN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000314631279 963780828 /nfs/dbraw/zinc/78/08/28/963780828.db2.gz IYMOUPKKHDCEKH-RNFRBKRXSA-N 0 1 316.835 3.968 10 0 DHAEMN C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ncc(C(=O)[O-])s1 ZINC000314634900 963782082 /nfs/dbraw/zinc/78/20/82/963782082.db2.gz JOMKZQKCZHLZAM-WPRPVWTQSA-N 0 1 308.428 3.631 10 0 DHAEMN C[C@H](c1ccccc1Br)[N@@H+](C)CCCCC(=O)[O-] ZINC000719356495 977999519 /nfs/dbraw/zinc/99/95/19/977999519.db2.gz RUWRERFDZPCVRP-LLVKDONJSA-N 0 1 314.223 3.697 10 0 DHAEMN CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788834 1032509507 /nfs/dbraw/zinc/50/95/07/1032509507.db2.gz OQQCPZNQUCWQIR-LBPRGKRZSA-N 0 1 304.463 3.543 10 0 DHAEMN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000077012203 1030834342 /nfs/dbraw/zinc/83/43/42/1030834342.db2.gz PRRWGZYHGUGISS-VFZGTOFNSA-N 0 1 303.745 3.549 10 0 DHAEMN Brc1cccc(-c2cnc(CNC3CC3)s2)c1 ZINC000083241294 192366877 /nfs/dbraw/zinc/36/68/77/192366877.db2.gz NJKRMYXKTUGJAF-UHFFFAOYSA-N 0 1 309.232 3.825 10 0 DHAEMN Cc1nc(N(C)C)sc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000093453581 193254226 /nfs/dbraw/zinc/25/42/26/193254226.db2.gz TVXVCYFRLZXXEF-HNNXBMFYSA-N 0 1 316.474 3.558 10 0 DHAEMN NCc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000019817767 182153245 /nfs/dbraw/zinc/15/32/45/182153245.db2.gz MGHOYSPDGZBCFZ-UHFFFAOYSA-N 0 1 309.188 3.778 10 0 DHAEMN N[C@@H](c1cc(F)ccc1F)c1cc(Br)ccc1F ZINC000019969547 182171229 /nfs/dbraw/zinc/17/12/29/182171229.db2.gz XXSHMSJOSXBFHE-CYBMUJFWSA-N 0 1 316.120 3.915 10 0 DHAEMN N[C@H](c1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000019968921 182171731 /nfs/dbraw/zinc/17/17/31/182171731.db2.gz GLEMLWVEHJZXIO-CYBMUJFWSA-N 0 1 316.120 3.915 10 0 DHAEMN Cc1ccc(Br)cc1-n1c(N)nc2ccccc21 ZINC000037368779 182883956 /nfs/dbraw/zinc/88/39/56/182883956.db2.gz ZFZRIJIXGDTYGS-UHFFFAOYSA-N 0 1 302.175 3.679 10 0 DHAEMN c1cnn(CCCCCN2CCCC[C@H]2c2nccs2)c1 ZINC000104681060 194026960 /nfs/dbraw/zinc/02/69/60/194026960.db2.gz MTQUXMBHDMPPSD-HNNXBMFYSA-N 0 1 304.463 3.737 10 0 DHAEMN C[C@H](NCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000057382229 184036754 /nfs/dbraw/zinc/03/67/54/184036754.db2.gz FIUHJDQRRJVKND-NSHDSACASA-N 0 1 306.768 3.768 10 0 DHAEMN Cc1ccc([C@H](C)NCc2ccc(O)c(Br)c2)o1 ZINC000057988525 184064982 /nfs/dbraw/zinc/06/49/82/184064982.db2.gz VBYBQQPMFGSMTO-JTQLQIEISA-N 0 1 310.191 3.907 10 0 DHAEMN CC(C)(C)Oc1ccc(NC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000195258989 335104811 /nfs/dbraw/zinc/10/48/11/335104811.db2.gz LSQCWYNKMHNCRM-LJQANCHMSA-N 0 1 312.413 3.677 10 0 DHAEMN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000049129476 334314834 /nfs/dbraw/zinc/31/48/34/334314834.db2.gz BTQWUGSQXLARLI-NXEZZACHSA-N 0 1 302.871 3.745 10 0 DHAEMN Cc1nc2ccccc2cc1-c1nc(C2(N)CCCCC2)no1 ZINC000333550597 336205399 /nfs/dbraw/zinc/20/53/99/336205399.db2.gz JKEOJFJSJSTUMT-UHFFFAOYSA-N 0 1 308.385 3.711 10 0 DHAEMN Cc1cncc(-c2nc(CN3CCC[C@H]4CCCC[C@H]43)no2)c1 ZINC000333560362 336205510 /nfs/dbraw/zinc/20/55/10/336205510.db2.gz NZTWNJJKTCXODM-GDBMZVCRSA-N 0 1 312.417 3.595 10 0 DHAEMN CC[C@@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000334126263 336219090 /nfs/dbraw/zinc/21/90/90/336219090.db2.gz PNZKLSIZQOZFBD-JKSUJKDBSA-N 0 1 318.465 3.773 10 0 DHAEMN Cc1cc(NCCc2nncn2C(C)C)c2cc(F)ccc2n1 ZINC000301641937 336320096 /nfs/dbraw/zinc/32/00/96/336320096.db2.gz BPYNDBLODJEVDC-UHFFFAOYSA-N 0 1 313.380 3.509 10 0 DHAEMN CC[C@@H](CNc1ncnc2[nH]cnc21)c1ccc(Cl)cc1 ZINC000301683086 336323240 /nfs/dbraw/zinc/32/32/40/336323240.db2.gz GTSCBRRJQUENLS-JTQLQIEISA-N 0 1 301.781 3.612 10 0 DHAEMN CC[C@H](CNc1ncnc2[nH]cnc21)c1ccc(Cl)cc1 ZINC000301683087 336323293 /nfs/dbraw/zinc/32/32/93/336323293.db2.gz GTSCBRRJQUENLS-SNVBAGLBSA-N 0 1 301.781 3.612 10 0 DHAEMN CN(C)Cc1ccc(CNc2ccnc(C(C)(C)C)n2)cc1F ZINC000301862584 336334808 /nfs/dbraw/zinc/33/48/08/336334808.db2.gz GELXLDKGVHSVFC-UHFFFAOYSA-N 0 1 316.424 3.587 10 0 DHAEMN CC(=O)c1c(F)cccc1NCc1ccc(CN(C)C)c(F)c1 ZINC000301877071 336335616 /nfs/dbraw/zinc/33/56/16/336335616.db2.gz KOZIOVYCPXHSCD-UHFFFAOYSA-N 0 1 318.367 3.841 10 0 DHAEMN Cc1nc(C[C@@H]2CCCN(Cc3ccc(Cl)c(C)c3)C2)no1 ZINC000180427681 337174573 /nfs/dbraw/zinc/17/45/73/337174573.db2.gz DSQQPZNSBIIXLR-AWEZNQCLSA-N 0 1 319.836 3.795 10 0 DHAEMN Cc1cnn([C@H]2CCCN(Cc3ccccc3OC(F)F)C2)c1 ZINC000106221329 337387147 /nfs/dbraw/zinc/38/71/47/337387147.db2.gz RJBXPBMYBPSUPC-HNNXBMFYSA-N 0 1 321.371 3.630 10 0 DHAEMN C[C@H](NCc1csc(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000183123539 525483505 /nfs/dbraw/zinc/48/35/05/525483505.db2.gz PEKMJSJBYHLUHS-XHDPSFHLSA-N 0 1 306.406 3.606 10 0 DHAEMN Cc1c(CN[C@H]2CC3(CCCC3)Oc3ccccc32)cnn1C ZINC000163305593 525729507 /nfs/dbraw/zinc/72/95/07/525729507.db2.gz AIUDCLKJXOHIFR-KRWDZBQOSA-N 0 1 311.429 3.655 10 0 DHAEMN c1nc2cc(-c3nc(-c4c[nH]c5ccccc54)no3)ccc2[nH]1 ZINC000073637971 526608052 /nfs/dbraw/zinc/60/80/52/526608052.db2.gz ZKAGSBDLEJGDHL-UHFFFAOYSA-N 0 1 301.309 3.761 10 0 DHAEMN Cn1cc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)cn1 ZINC000128536407 527320052 /nfs/dbraw/zinc/32/00/52/527320052.db2.gz RINCXBQTOWBLQP-NSHDSACASA-N 0 1 310.228 3.716 10 0 DHAEMN C[C@@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000722131673 955193438 /nfs/dbraw/zinc/19/34/38/955193438.db2.gz COBLMBAGHLGSSZ-YGRLFVJLSA-N 0 1 316.228 3.721 10 0 DHAEMN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000139456075 958968628 /nfs/dbraw/zinc/96/86/28/958968628.db2.gz LHIPQKCGXOYURD-UHFFFAOYSA-N 0 1 321.779 3.956 10 0 DHAEMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000139456075 958968639 /nfs/dbraw/zinc/96/86/39/958968639.db2.gz LHIPQKCGXOYURD-UHFFFAOYSA-N 0 1 321.779 3.956 10 0 DHAEMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(Sc2ccccc2)cc1 ZINC000263415003 962582612 /nfs/dbraw/zinc/58/26/12/962582612.db2.gz MVVDWVLBBHPFAZ-KRWDZBQOSA-N 0 1 313.422 3.887 10 0 DHAEMN O=C([O-])C[N@@H+](CCSc1ccccc1F)Cc1ccccc1 ZINC000692414951 976456976 /nfs/dbraw/zinc/45/69/76/976456976.db2.gz QJOPKBIRIWGHJO-UHFFFAOYSA-N 0 1 319.401 3.505 10 0 DHAEMN C[C@@H](c1ccccc1Br)[N@@H+](C)CCCCC(=O)[O-] ZINC000719356499 978000006 /nfs/dbraw/zinc/00/00/06/978000006.db2.gz RUWRERFDZPCVRP-NSHDSACASA-N 0 1 314.223 3.697 10 0 DHAEMN CC[C@H]1CCCCN1Cc1nc(-c2ccccc2OC)no1 ZINC000066405449 1035131700 /nfs/dbraw/zinc/13/17/00/1035131700.db2.gz NHUGNQBSJAMIDI-ZDUSSCGKSA-N 0 1 301.390 3.510 10 0 DHAEMN CC(C)c1ccc([C@H]2CNCCN2C(=O)OC(C)(C)C)cc1 ZINC000095752097 185383829 /nfs/dbraw/zinc/38/38/29/185383829.db2.gz IIIUXNQGLQPIMI-MRXNPFEDSA-N 0 1 304.434 3.691 10 0 DHAEMN C[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006409287 181339418 /nfs/dbraw/zinc/33/94/18/181339418.db2.gz BWDRPOSNGDUAMA-GXFFZTMASA-N 0 1 301.308 3.706 10 0 DHAEMN Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1c[nH]c2ccccc12 ZINC000016607823 182053619 /nfs/dbraw/zinc/05/36/19/182053619.db2.gz RITHMRJAOSKKCJ-QGZVFWFLSA-N 0 1 303.365 3.749 10 0 DHAEMN COc1ccc(Br)c(-c2nc3ccc(N)cc3[nH]2)c1 ZINC000019429014 182123121 /nfs/dbraw/zinc/12/31/21/182123121.db2.gz AXVXKNKDVFOHIR-UHFFFAOYSA-N 0 1 318.174 3.583 10 0 DHAEMN N[C@@H](c1ccc(F)cc1F)c1ccc(Br)cc1F ZINC000019969033 182171509 /nfs/dbraw/zinc/17/15/09/182171509.db2.gz FMLSDTDMYNMXGL-CYBMUJFWSA-N 0 1 316.120 3.915 10 0 DHAEMN NC(=O)[C@H](NC1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000037970632 182945029 /nfs/dbraw/zinc/94/50/29/182945029.db2.gz GKPMKXLJGSXNNE-CQSZACIVSA-N 0 1 315.244 3.832 10 0 DHAEMN Cc1ccc(Sc2ncnc(Nc3ccncc3)c2N)cc1 ZINC000040687611 183117774 /nfs/dbraw/zinc/11/77/74/183117774.db2.gz UCLVFIKPTOFSIF-UHFFFAOYSA-N 0 1 309.398 3.657 10 0 DHAEMN CC(C)CN(CC(=O)c1ccc(Br)cc1)C(C)C ZINC000042587730 183287683 /nfs/dbraw/zinc/28/76/83/183287683.db2.gz CNLOXWZREZSFEU-UHFFFAOYSA-N 0 1 312.251 3.998 10 0 DHAEMN CC(C)C[C@@H](C)N(C)CC(=O)c1ccc(Br)cc1 ZINC000042586606 183287742 /nfs/dbraw/zinc/28/77/42/183287742.db2.gz DDWHHBYMKKMJKH-GFCCVEGCSA-N 0 1 312.251 3.998 10 0 DHAEMN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1nc2ccccc2n1C ZINC000120433792 195165906 /nfs/dbraw/zinc/16/59/06/195165906.db2.gz FYNWUDKZACREEH-CRAIPNDOSA-N 0 1 322.456 3.527 10 0 DHAEMN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163941290 132127686 /nfs/dbraw/zinc/12/76/86/132127686.db2.gz DGCUTMKNMFUQBG-PBHICJAKSA-N 0 1 311.429 3.907 10 0 DHAEMN Cc1cccc(CCCN2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000181103121 332175475 /nfs/dbraw/zinc/17/54/75/332175475.db2.gz IVIAZVNXIVJCQB-UHFFFAOYSA-N 0 1 311.473 3.843 10 0 DHAEMN COc1ccc([C@@H](C)NCc2ccnc(Cl)c2)cc1OC ZINC000180863446 333028851 /nfs/dbraw/zinc/02/88/51/333028851.db2.gz AJCFZGMKTDZVMD-LLVKDONJSA-N 0 1 306.793 3.603 10 0 DHAEMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1Cc2ccccc2CN1 ZINC000020548054 333322117 /nfs/dbraw/zinc/32/21/17/333322117.db2.gz ZCBLWZFFVHAXIF-OAHLLOKOSA-N 0 1 321.207 3.646 10 0 DHAEMN CCC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1Cl)N(C)C ZINC000188291670 333362976 /nfs/dbraw/zinc/36/29/76/333362976.db2.gz DIYHOCVNRRPYOF-HNNXBMFYSA-N 0 1 312.841 3.796 10 0 DHAEMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)NC1CCCCC1 ZINC000049129490 334314928 /nfs/dbraw/zinc/31/49/28/334314928.db2.gz KSEVGVZHQDSHCE-GHMZBOCLSA-N 0 1 314.882 3.890 10 0 DHAEMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000049129442 334315056 /nfs/dbraw/zinc/31/50/56/334315056.db2.gz IZKVVBLBHDEOAQ-MNOVXSKESA-N 0 1 302.871 3.603 10 0 DHAEMN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000301590020 336316829 /nfs/dbraw/zinc/31/68/29/336316829.db2.gz XGAHVDMEYYMAFB-SOHPYSCWSA-N 0 1 320.433 3.866 10 0 DHAEMN C[C@@H](Nc1nc2ccccc2c(-c2ccccc2)n1)c1nnc[nH]1 ZINC000302051803 336345716 /nfs/dbraw/zinc/34/57/16/336345716.db2.gz PAPYSFIUCNWOAC-GFCCVEGCSA-N 0 1 316.368 3.588 10 0 DHAEMN Cc1csc([C@H]2CCCN(Cc3ccncc3Cl)C2)n1 ZINC000173757867 337136068 /nfs/dbraw/zinc/13/60/68/337136068.db2.gz SJILKAYCKPFHCY-ZDUSSCGKSA-N 0 1 307.850 3.880 10 0 DHAEMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nnc(C)n1CC ZINC000173991610 337140341 /nfs/dbraw/zinc/14/03/41/337140341.db2.gz LIYRRULFGKLJJA-GOSISDBHSA-N 0 1 314.477 3.758 10 0 DHAEMN Cc1[nH]ncc1CNc1ncc(Cc2ccc(F)cc2F)s1 ZINC000185962255 337253435 /nfs/dbraw/zinc/25/34/35/337253435.db2.gz UXQUMAVPZYIOHE-UHFFFAOYSA-N 0 1 320.368 3.656 10 0 DHAEMN Clc1ccc(/C=C/CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000189802993 337283161 /nfs/dbraw/zinc/28/31/61/337283161.db2.gz AMSRNIZGRZPXLA-NHZBNJEXSA-N 0 1 302.809 3.699 10 0 DHAEMN CC(C)N(C)c1ccc(CN[C@H]2CCOc3ccccc32)cn1 ZINC000190690083 337289763 /nfs/dbraw/zinc/28/97/63/337289763.db2.gz WWUZBEMADFWPBI-KRWDZBQOSA-N 0 1 311.429 3.540 10 0 DHAEMN CC1(C)CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000123536577 337399857 /nfs/dbraw/zinc/39/98/57/337399857.db2.gz AUNZNPMMDZLTIH-YJBOKZPZSA-N 0 1 323.440 3.660 10 0 DHAEMN c1cncc(-c2cccc(CN3CCO[C@H]4CCCC[C@H]43)c2)c1 ZINC000245541754 341300810 /nfs/dbraw/zinc/30/08/10/341300810.db2.gz OTVMBXYVKPGXSC-UXHICEINSA-N 0 1 308.425 3.892 10 0 DHAEMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246086233 341324448 /nfs/dbraw/zinc/32/44/48/341324448.db2.gz FGEQOWGUHKKSNK-KGLIPLIRSA-N 0 1 317.383 3.855 10 0 DHAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@H]1c1ccco1 ZINC000246351016 341343747 /nfs/dbraw/zinc/34/37/47/341343747.db2.gz MOJXIHBAAOEZEG-QXSJWSMHSA-N 0 1 304.434 3.595 10 0 DHAEMN C[C@H](NCc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000161946415 525487396 /nfs/dbraw/zinc/48/73/96/525487396.db2.gz IFGGGTMXZFTNST-HZMBPMFUSA-N 0 1 324.396 3.745 10 0 DHAEMN C[C@@H](NCc1coc(-c2cccc(Cl)c2)n1)[C@@H]1CCCO1 ZINC000183089260 525553676 /nfs/dbraw/zinc/55/36/76/525553676.db2.gz YYRIYUZBKUGMOG-ABAIWWIYSA-N 0 1 306.793 3.652 10 0 DHAEMN C[C@@H](NCc1csc(Nc2ccccc2)n1)[C@H]1CCCO1 ZINC000183102995 525556769 /nfs/dbraw/zinc/55/67/69/525556769.db2.gz PQMHOIOPWPPXMV-IUODEOHRSA-N 0 1 303.431 3.544 10 0 DHAEMN Cc1cnc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523878 526016062 /nfs/dbraw/zinc/01/60/62/526016062.db2.gz CWFZYLFODLXSRG-CVEARBPZSA-N 0 1 302.443 3.540 10 0 DHAEMN Cn1cc([C@H]2CCCN2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322872 527317262 /nfs/dbraw/zinc/31/72/62/527317262.db2.gz ZTNCKUHGHQQJBH-LJQANCHMSA-N 0 1 311.429 3.546 10 0 DHAEMN Cc1ccc2nc(C3=NN[C@H](c4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000005400300 563330045 /nfs/dbraw/zinc/33/00/45/563330045.db2.gz ZDAJCZOULWPQHR-AWEZNQCLSA-N 0 1 310.788 3.963 10 0 DHAEMN